Unclassified Organic Compounds

Organic compounds that do not fit into any other organic chemical classification.

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2,551 – 2,565 of 204,443 results

2,551

Tetracosane 99.0+%, TCI America™

CAS: 646-31-1 Molecular Formula: C24H50 Molecular Weight (g/mol): 338.664 MDL Number: MFCD00009352 InChI Key: POOSGDOYLQNASK-UHFFFAOYSA-N Synonym: n-tetracosane,lignocerane,unii-yq5h1m1d7i,tricosane, methyl,yq5h1m1d7i,tetracosane, analytical standard,tetracosane,acmc-1b0gq,n-tetracosane 5g,ksc357o9b PubChem CID: 12592 ChEBI: CHEBI:32936 IUPAC Name: tetracosane SMILES: CCCCCCCCCCCCCCCCCCCCCCCC

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Specifications

PubChem CID	12592
CAS	646-31-1
Molecular Weight (g/mol)	338.664
ChEBI	CHEBI:32936
MDL Number	MFCD00009352
SMILES	CCCCCCCCCCCCCCCCCCCCCCCC
Synonym	n-tetracosane,lignocerane,unii-yq5h1m1d7i,tricosane, methyl,yq5h1m1d7i,tetracosane, analytical standard,tetracosane,acmc-1b0gq,n-tetracosane 5g,ksc357o9b
IUPAC Name	tetracosane
InChI Key	POOSGDOYLQNASK-UHFFFAOYSA-N
Molecular Formula	C24H50

2,552

Isopropylcyclohexane 99.0+%, TCI America™

CAS: 696-29-7 Molecular Formula: C9H18 Molecular Weight (g/mol): 126.24 MDL Number: MFCD00001480 InChI Key: GWESVXSMPKAFAS-UHFFFAOYSA-N Synonym: Hexahydrocumene PubChem CID: 12763 IUPAC Name: (propan-2-yl)cyclohexane SMILES: CC(C)C1CCCCC1

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Specifications

PubChem CID	12763
CAS	696-29-7
Molecular Weight (g/mol)	126.24
MDL Number	MFCD00001480
SMILES	CC(C)C1CCCCC1
Synonym	Hexahydrocumene
IUPAC Name	(propan-2-yl)cyclohexane
InChI Key	GWESVXSMPKAFAS-UHFFFAOYSA-N
Molecular Formula	C9H18

2,553

6-Aminopenicillanic Acid 98.0+%, TCI America™

CAS: 551-16-6 Molecular Formula: C8H12N2O3S Molecular Weight (g/mol): 216.26 MDL Number: MFCD00005176 InChI Key: NGHVIOIJCVXTGV-ALEPSDHESA-N Synonym: 6-aminopenicillanic acid,6-apa,penicin,penin,aminopenicillanic acid,6-aps,phenacyl 6-aminopenicillinate,6-aminopenicillamine acid,6-aminopenicillanate,2s,5r,6r-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo 3.2.0 heptane-2-carboxylic acid PubChem CID: 11082 ChEBI: CHEBI:16705 IUPAC Name: (2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid SMILES: CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(O)=O

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Specifications

PubChem CID	11082
CAS	551-16-6
Molecular Weight (g/mol)	216.26
ChEBI	CHEBI:16705
MDL Number	MFCD00005176
SMILES	CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(O)=O
Synonym	6-aminopenicillanic acid,6-apa,penicin,penin,aminopenicillanic acid,6-aps,phenacyl 6-aminopenicillinate,6-aminopenicillamine acid,6-aminopenicillanate,2s,5r,6r-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo 3.2.0 heptane-2-carboxylic acid
IUPAC Name	(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
InChI Key	NGHVIOIJCVXTGV-ALEPSDHESA-N
Molecular Formula	C8H12N2O3S

2,554

2-Adamantanone 98.0+%, TCI America™

CAS: 700-58-3 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00074737 InChI Key: IYKFYARMMIESOX-UHFFFAOYSA-N Synonym: 2-adamantanone,adamantanone,2-adamantone,2-oxoadamantane,tricyclo 3.3.1.13,7 decanone,unii-ui7w503l08,tricyclo 3,3,1,13,7 decanone,tricyclo 3.3.1.1 sup 3,7 decanone,tricyclo 3.3.1.13,7 decan-2-one PubChem CID: 64151 ChEBI: CHEBI:40611 IUPAC Name: adamantan-2-one SMILES: C1C2CC3CC1CC(C2)C3=O

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Specifications

PubChem CID	64151
CAS	700-58-3
Molecular Weight (g/mol)	150.221
ChEBI	CHEBI:40611
MDL Number	MFCD00074737
SMILES	C1C2CC3CC1CC(C2)C3=O
Synonym	2-adamantanone,adamantanone,2-adamantone,2-oxoadamantane,tricyclo 3.3.1.13,7 decanone,unii-ui7w503l08,tricyclo 3,3,1,13,7 decanone,tricyclo 3.3.1.1 sup 3,7 decanone,tricyclo 3.3.1.13,7 decan-2-one
IUPAC Name	adamantan-2-one
InChI Key	IYKFYARMMIESOX-UHFFFAOYSA-N
Molecular Formula	C10H14O

2,555

Denatonium Benzoate 98.0+%, TCI America™

CAS: 3734-33-6 Molecular Formula: C28H34N2O3 Molecular Weight (g/mol): 446.59 MDL Number: MFCD00031578 InChI Key: VWTINHYPRWEBQY-UHFFFAOYSA-N Synonym: denatonium benzoate,bitrex,lidocaine benzyl benzoate,anispray,aversion,gori,caswell no. 083bb,unii-m5ba6gaf1o,denatonium benzoate anhydrous PubChem CID: 19518 IUPAC Name: benzyl({[(2,6-dimethylphenyl)carbamoyl]methyl})diethylazanium benzoate SMILES: [O-]C(=O)C1=CC=CC=C1.CC[N+](CC)(CC(=O)NC1=C(C)C=CC=C1C)CC1=CC=CC=C1

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Specifications

PubChem CID	19518
CAS	3734-33-6
Molecular Weight (g/mol)	446.59
MDL Number	MFCD00031578
SMILES	[O-]C(=O)C1=CC=CC=C1.CC[N+](CC)(CC(=O)NC1=C(C)C=CC=C1C)CC1=CC=CC=C1
Synonym	denatonium benzoate,bitrex,lidocaine benzyl benzoate,anispray,aversion,gori,caswell no. 083bb,unii-m5ba6gaf1o,denatonium benzoate anhydrous
IUPAC Name	benzyl({[(2,6-dimethylphenyl)carbamoyl]methyl})diethylazanium benzoate
InChI Key	VWTINHYPRWEBQY-UHFFFAOYSA-N
Molecular Formula	C28H34N2O3

2,556

Sodium Triacetoxyborohydride 80.0+%, TCI America™

CAS: 56553-60-7 Molecular Formula: C6H10BNaO6 Molecular Weight (g/mol): 211.94 MDL Number: MFCD00012211 InChI Key: HHYFEYBWNZJVFQ-UHFFFAOYSA-N Synonym: c6h10bnao6,sodium triacetoxyboron 1-,pubchem12871,sodium triacetoxy borohyride,sodium triacetyloxyboron 1-,tris acetoxy hydroborate sodium salt,sodium bis acetyloxy-$l^ 2-boranuidyl acetate IUPAC Name: sodium bis(acetyloxy)boranuidyl acetate SMILES: [Na+].CC(=O)O[BH-](OC(C)=O)OC(C)=O

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Specifications

CAS	56553-60-7
Molecular Weight (g/mol)	211.94
MDL Number	MFCD00012211
SMILES	[Na+].CC(=O)O[BH-](OC(C)=O)OC(C)=O
Synonym	c6h10bnao6,sodium triacetoxyboron 1-,pubchem12871,sodium triacetoxy borohyride,sodium triacetyloxyboron 1-,tris acetoxy hydroborate sodium salt,sodium bis acetyloxy-$l^ 2-boranuidyl acetate
IUPAC Name	sodium bis(acetyloxy)boranuidyl acetate
InChI Key	HHYFEYBWNZJVFQ-UHFFFAOYSA-N
Molecular Formula	C6H10BNaO6

2,557

Isomaltose 97.0+%, TCI America™

CAS: 499-40-1 Molecular Formula: C12H22O11 Molecular Weight (g/mol): 342.297 MDL Number: MFCD00065373 InChI Key: DLRVVLDZNNYCBX-MYBWVJKRSA-N Synonym: isomaltose PubChem CID: 133612057 IUPAC Name: (2S,3S,4R,5R,6S)-6-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol SMILES: C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O)O

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Specifications

PubChem CID	133612057
CAS	499-40-1
Molecular Weight (g/mol)	342.297
MDL Number	MFCD00065373
SMILES	C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O)O
Synonym	isomaltose
IUPAC Name	(2S,3S,4R,5R,6S)-6-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
InChI Key	DLRVVLDZNNYCBX-MYBWVJKRSA-N
Molecular Formula	C12H22O11

2,558

(S)-(+)-3-Chloro-1,2-propanediol 98.0+%, TCI America™

CAS: 60827-45-4 Molecular Formula: C3H7ClO2 Molecular Weight (g/mol): 110.537 MDL Number: MFCD00210270 InChI Key: SSZWWUDQMAHNAQ-GSVOUGTGSA-N Synonym: s-+-3-chloro-1,2-propanediol,s-3-chloro-1,2-propanediol,s-3-chloropropane-1,2-diol,2s-3-chloropropane-1,2-diol,s-alpha-chlorohydrin,unii-227bd3h6h6,ccris 7386,1,2-propanediol, 3-chloro-, s,1,2-propanediol, 3-chloro-, 2s PubChem CID: 148904 IUPAC Name: (2S)-3-chloropropane-1,2-diol SMILES: C(C(CCl)O)O

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Specifications

PubChem CID	148904
CAS	60827-45-4
Molecular Weight (g/mol)	110.537
MDL Number	MFCD00210270
SMILES	C(C(CCl)O)O
Synonym	s-+-3-chloro-1,2-propanediol,s-3-chloro-1,2-propanediol,s-3-chloropropane-1,2-diol,2s-3-chloropropane-1,2-diol,s-alpha-chlorohydrin,unii-227bd3h6h6,ccris 7386,1,2-propanediol, 3-chloro-, s,1,2-propanediol, 3-chloro-, 2s
IUPAC Name	(2S)-3-chloropropane-1,2-diol
InChI Key	SSZWWUDQMAHNAQ-GSVOUGTGSA-N
Molecular Formula	C3H7ClO2

2,559

Tetratriacontane 99.0+%, TCI America™

CAS: 14167-59-0 Molecular Formula: C34H70 Molecular Weight (g/mol): 478.93 MDL Number: MFCD00009412 InChI Key: GWVDBZWVFGFBCN-UHFFFAOYSA-N Synonym: n-tetratriacontane,unii-94ua0738yx,tetratriacontane, analytical standard,tetratriacontane,acmc-1bniv PubChem CID: 26519 IUPAC Name: tetratriacontane SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

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Specifications

PubChem CID	26519
CAS	14167-59-0
Molecular Weight (g/mol)	478.93
MDL Number	MFCD00009412
SMILES	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Synonym	n-tetratriacontane,unii-94ua0738yx,tetratriacontane, analytical standard,tetratriacontane,acmc-1bniv
IUPAC Name	tetratriacontane
InChI Key	GWVDBZWVFGFBCN-UHFFFAOYSA-N
Molecular Formula	C34H70

2,560

PTIO (=2-Phenyl-4,4,5,5-tetramethylimidazoline-3-oxide-1-oxyl) 98.0+%, TCI America™

CAS: 18390-00-6 Molecular Formula: C13H17N2O2 MDL Number: MFCD00059929 Synonym: 4,5-Dihydro-4,4,5,5-tetramethyl-2-phenyl-1H-imidazol-1-yloxy-1-oxide, 2-Phenyl-4,4,5,5-tetramethylimidazoline-3-oxide-1-oxyl

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Specifications

CAS	18390-00-6
MDL Number	MFCD00059929
Synonym	4,5-Dihydro-4,4,5,5-tetramethyl-2-phenyl-1H-imidazol-1-yloxy-1-oxide, 2-Phenyl-4,4,5,5-tetramethylimidazoline-3-oxide-1-oxyl
Molecular Formula	C13H17N2O2

2,561

L-Theanine 98.0+%, TCI America™

CAS: 3081-61-6 Molecular Formula: C7H14N2O3 Molecular Weight (g/mol): 174.20 MDL Number: MFCD00059653 InChI Key: DATAGRPVKZEWHA-UHFFFAOYNA-N Synonym: l-theanine,theanine,theanin,s-2-amino-5-ethylamino-5-oxopentanoic acid,n-ethyl-l-glutamine,suntheanine,n5-ethyl-l-glutamine,n 5-ethyl-l-glutamine,unii-8021pr16qo PubChem CID: 439378 ChEBI: CHEBI:17394 IUPAC Name: 2-amino-4-(ethylcarbamoyl)butanoic acid SMILES: CCNC(=O)CCC(N)C(O)=O

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Specifications

PubChem CID	439378
CAS	3081-61-6
Molecular Weight (g/mol)	174.20
ChEBI	CHEBI:17394
MDL Number	MFCD00059653
SMILES	CCNC(=O)CCC(N)C(O)=O
Synonym	l-theanine,theanine,theanin,s-2-amino-5-ethylamino-5-oxopentanoic acid,n-ethyl-l-glutamine,suntheanine,n5-ethyl-l-glutamine,n 5-ethyl-l-glutamine,unii-8021pr16qo
IUPAC Name	2-amino-4-(ethylcarbamoyl)butanoic acid
InChI Key	DATAGRPVKZEWHA-UHFFFAOYNA-N
Molecular Formula	C7H14N2O3

2,562

N-Acetyl-L-tryptophan 98.0+%, TCI America™

CAS: 1218-34-4 Molecular Formula: C13H14N2O3 Molecular Weight (g/mol): 246.27 MDL Number: MFCD00065976 InChI Key: DZTHIGRZJZPRDV-LBPRGKRZSA-N Synonym: n-acetyl-l-tryptophan,ac-trp-oh,acetyl-l-tryptophan,acetyltryptophan,acetyl-l-trp,ac-try,s-n-acetyltryptophan,unii-u9264t8oae,tryptophan, n-acetyl,s-2-acetamido-3-1h-indol-3-yl propanoic acid PubChem CID: 700653 ChEBI: CHEBI:74640 IUPAC Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid SMILES: CC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O

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Specifications

PubChem CID	700653
CAS	1218-34-4
Molecular Weight (g/mol)	246.27
ChEBI	CHEBI:74640
MDL Number	MFCD00065976
SMILES	CC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O
Synonym	n-acetyl-l-tryptophan,ac-trp-oh,acetyl-l-tryptophan,acetyltryptophan,acetyl-l-trp,ac-try,s-n-acetyltryptophan,unii-u9264t8oae,tryptophan, n-acetyl,s-2-acetamido-3-1h-indol-3-yl propanoic acid
IUPAC Name	(2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid
InChI Key	DZTHIGRZJZPRDV-LBPRGKRZSA-N
Molecular Formula	C13H14N2O3

2,563

Cyclosporin A 97.0+%, TCI America™

CAS: 59865-13-3 Molecular Formula: C62H111N11O12 Molecular Weight (g/mol): 1202.64 MDL Number: MFCD00274558 InChI Key: PMATZTZNYRCHOR-IMVLJIQENA-N Synonym: cyclosporin a PubChem CID: 132274082 IUPAC Name: 30-ethyl-33-[(4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone SMILES: CCC1NC(=O)C(C(O)C(C)C\C=C\C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C

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Specifications

PubChem CID	132274082
CAS	59865-13-3
Molecular Weight (g/mol)	1202.64
MDL Number	MFCD00274558
SMILES	CCC1NC(=O)C(C(O)C(C)C\C=C\C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
Synonym	cyclosporin a
IUPAC Name	30-ethyl-33-[(4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone
InChI Key	PMATZTZNYRCHOR-IMVLJIQENA-N
Molecular Formula	C62H111N11O12

2,564

Ceftriaxone Disodium Salt Hemiheptahydrate 98.0+%, TCI America™

CAS: 104376-79-6 Molecular Formula: C36H46N16Na4O21S6 Molecular Weight (g/mol): 1323.17 MDL Number: MFCD01750405,MFCD01750405,MFCD09749665 InChI Key: RGDBKADCOSIOEV-MAODNAKNSA-J Synonym: ceftriaxone sodium hydrate PubChem CID: 131843450 IUPAC Name: tetrasodium 3-({[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}sulfanyl)-2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-1-ide (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-{[(2-methyl-6-oxido-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate heptahydrate SMILES: O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CSC3=NC(=O)C(=O)[N-]N3C)=C(N2C1=O)C([O-])=O)C1=CSC(N)=N1.CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CSC3=NC(=O)C([O-])=NN3C)=C(N2C1=O)C([O-])=O)C1=CSC(N)=N1

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Specifications

PubChem CID	131843450
CAS	104376-79-6
Molecular Weight (g/mol)	1323.17
MDL Number	MFCD01750405,MFCD01750405,MFCD09749665
SMILES	O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CSC3=NC(=O)C(=O)[N-]N3C)=C(N2C1=O)C([O-])=O)C1=CSC(N)=N1.CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CSC3=NC(=O)C([O-])=NN3C)=C(N2C1=O)C([O-])=O)C1=CSC(N)=N1
Synonym	ceftriaxone sodium hydrate
IUPAC Name	tetrasodium 3-({[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}sulfanyl)-2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-1-ide (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-{[(2-methyl-6-oxido-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate heptahydrate
InChI Key	RGDBKADCOSIOEV-MAODNAKNSA-J
Molecular Formula	C36H46N16Na4O21S6

2,565

Dimethylamine Borane 95.0+%, TCI America™

CAS: 74-94-2 Molecular Formula: C2H10BN Molecular Weight (g/mol): 58.92 MDL Number: MFCD00051068 InChI Key: FTDUHBOCJSQEKS-UHFFFAOYSA-N Synonym: Borane - Dimethylamine Complex, DMAB IUPAC Name: dimethylamine borane SMILES: B.CNC

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Specifications

CAS	74-94-2
Molecular Weight (g/mol)	58.92
MDL Number	MFCD00051068
SMILES	B.CNC
Synonym	Borane - Dimethylamine Complex, DMAB
IUPAC Name	dimethylamine borane
InChI Key	FTDUHBOCJSQEKS-UHFFFAOYSA-N
Molecular Formula	C2H10BN

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