Organonitrogen Compounds
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tert-Butyl nitrite, tech. 90%
CAS: 540-80-7 Molecular Formula: C4H9NO2 Molecular Weight (g/mol): 103.121 MDL Number: MFCD00002055 InChI Key: IOGXOCVLYRDXLW-UHFFFAOYSA-N Synonym: t-butyl nitrite,1,1-dimethylethyl nitrite,tert-butylnitrite,nitrous acid, 1,1-dimethylethyl ester,unii-4780h7u8lu,ccris 2098,alpha,alpha-dimethylethyl nitrite,nitrous acid, t-butyl ester,2-methyl-2-propylnitrit,ch3 3cono PubChem CID: 10906 IUPAC Name: tert-butyl nitrite SMILES: CC(C)(C)ON=O
| PubChem CID | 10906 |
|---|---|
| CAS | 540-80-7 |
| Molecular Weight (g/mol) | 103.121 |
| MDL Number | MFCD00002055 |
| SMILES | CC(C)(C)ON=O |
| Synonym | t-butyl nitrite,1,1-dimethylethyl nitrite,tert-butylnitrite,nitrous acid, 1,1-dimethylethyl ester,unii-4780h7u8lu,ccris 2098,alpha,alpha-dimethylethyl nitrite,nitrous acid, t-butyl ester,2-methyl-2-propylnitrit,ch3 3cono |
| IUPAC Name | tert-butyl nitrite |
| InChI Key | IOGXOCVLYRDXLW-UHFFFAOYSA-N |
| Molecular Formula | C4H9NO2 |
(+/-)-1-Amino-2-propanol, 94%, remainder 2-amino-1-propanol
CAS: 78-96-6 Molecular Formula: C3H9NO Molecular Weight (g/mol): 75.11 MDL Number: MFCD00008139 InChI Key: HXKKHQJGJAFBHI-UHFFFAOYNA-N Synonym: 1-amino-2-propanol,isopropanolamine,monoisopropanolamine,threamine,2-propanol, 1-amino,2-hydroxypropylamine,amino-2-propanol,mipa,1-methyl-2-aminoethanol,2-hydroxypropanamine PubChem CID: 4 ChEBI: CHEBI:19030 IUPAC Name: 1-aminopropan-2-ol SMILES: CC(O)CN
| PubChem CID | 4 |
|---|---|
| CAS | 78-96-6 |
| Molecular Weight (g/mol) | 75.11 |
| ChEBI | CHEBI:19030 |
| MDL Number | MFCD00008139 |
| SMILES | CC(O)CN |
| Synonym | 1-amino-2-propanol,isopropanolamine,monoisopropanolamine,threamine,2-propanol, 1-amino,2-hydroxypropylamine,amino-2-propanol,mipa,1-methyl-2-aminoethanol,2-hydroxypropanamine |
| IUPAC Name | 1-aminopropan-2-ol |
| InChI Key | HXKKHQJGJAFBHI-UHFFFAOYNA-N |
| Molecular Formula | C3H9NO |
N-Methyldiethanolamine, 98+%, Thermo Scientific Chemicals
CAS: 105-59-9 Molecular Formula: C5H13NO2 Molecular Weight (g/mol): 119.16 MDL Number: MFCD00002848 InChI Key: CRVGTESFCCXCTH-UHFFFAOYSA-N Synonym: n-methyldiethanolamine,methyldiethanolamine,2,2'-methylimino diethanol,ethanol, 2,2'-methylimino bis,methyl diethanolamine,n-methyliminodiethanol,n-methyl-2,2'-iminodiethanol,n-methylaminodiglycol,2,2'-methyliminodiethanol,n-methyldiethanolimine PubChem CID: 7767 IUPAC Name: 2-[2-hydroxyethyl(methyl)amino]ethanol SMILES: CN(CCO)CCO
| PubChem CID | 7767 |
|---|---|
| CAS | 105-59-9 |
| Molecular Weight (g/mol) | 119.16 |
| MDL Number | MFCD00002848 |
| SMILES | CN(CCO)CCO |
| Synonym | n-methyldiethanolamine,methyldiethanolamine,2,2'-methylimino diethanol,ethanol, 2,2'-methylimino bis,methyl diethanolamine,n-methyliminodiethanol,n-methyl-2,2'-iminodiethanol,n-methylaminodiglycol,2,2'-methyliminodiethanol,n-methyldiethanolimine |
| IUPAC Name | 2-[2-hydroxyethyl(methyl)amino]ethanol |
| InChI Key | CRVGTESFCCXCTH-UHFFFAOYSA-N |
| Molecular Formula | C5H13NO2 |
Di-n-propylamine, 99%
CAS: 142-84-7 Molecular Formula: C6H15N Molecular Weight (g/mol): 101.19 MDL Number: MFCD00009362 InChI Key: WEHWNAOGRSTTBQ-UHFFFAOYSA-N Synonym: dipropylamine,di-n-propylamine,1-propanamine, n-propyl,n-dipropylamine,n-propyl-1-propanamine,rcra waste number u110,dipropyl amine,rcra waste no. u110,unii-60p318iiry,ccris 4805 PubChem CID: 8902 IUPAC Name: N-propylpropan-1-amine SMILES: CCCNCCC
| PubChem CID | 8902 |
|---|---|
| CAS | 142-84-7 |
| Molecular Weight (g/mol) | 101.19 |
| MDL Number | MFCD00009362 |
| SMILES | CCCNCCC |
| Synonym | dipropylamine,di-n-propylamine,1-propanamine, n-propyl,n-dipropylamine,n-propyl-1-propanamine,rcra waste number u110,dipropyl amine,rcra waste no. u110,unii-60p318iiry,ccris 4805 |
| IUPAC Name | N-propylpropan-1-amine |
| InChI Key | WEHWNAOGRSTTBQ-UHFFFAOYSA-N |
| Molecular Formula | C6H15N |
(R)-(-)-2-Aminohexane, ChiPros 99+%, ee 96+%
CAS: 70095-40-8 Molecular Formula: C6H15N Molecular Weight (g/mol): 101.193 MDL Number: MFCD00671627 InChI Key: WGBBUURBHXLGFM-ZCFIWIBFSA-N Synonym: r-2-aminohexane,2r-hexan-2-amine,r-2-hexylamine,2-hexanamine, r,r-2-hexaneamine,pubchem6753,2r-2-hexanamine,r-hexan-2-amine,2-hexanamine, 2r,r-+-2-aminohexane PubChem CID: 6993464 IUPAC Name: (2R)-hexan-2-amine SMILES: CCCCC(C)N
| PubChem CID | 6993464 |
|---|---|
| CAS | 70095-40-8 |
| Molecular Weight (g/mol) | 101.193 |
| MDL Number | MFCD00671627 |
| SMILES | CCCCC(C)N |
| Synonym | r-2-aminohexane,2r-hexan-2-amine,r-2-hexylamine,2-hexanamine, r,r-2-hexaneamine,pubchem6753,2r-2-hexanamine,r-hexan-2-amine,2-hexanamine, 2r,r-+-2-aminohexane |
| IUPAC Name | (2R)-hexan-2-amine |
| InChI Key | WGBBUURBHXLGFM-ZCFIWIBFSA-N |
| Molecular Formula | C6H15N |
(R)-(+)-alpha-Methylbenzyl isocyanate, 98%
CAS: 33375-06-3 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 MDL Number: MFCD00063015 InChI Key: JJSCUXAFAJEQGB-MRVPVSSYSA-N Synonym: r-+-1-phenylethyl isocyanate,1r-1-isocyanatoethyl benzene,r-+-alpha-methylbenzyl isocyanate,benzene, 1r-1-isocyanatoethyl,isocyanic acid r-+-1-phenylethyl ester,isocyanic acid r-+-alpha-methylbenzyl ester,isocyanic acid-r-+-methylbenzyl ester,1-isocyanatoethyl benzene #,+-alpha-methylbenzyl isocyanate,pubchem8096 PubChem CID: 7018262 IUPAC Name: [(1R)-1-isocyanatoethyl]benzene SMILES: CC(C1=CC=CC=C1)N=C=O
| PubChem CID | 7018262 |
|---|---|
| CAS | 33375-06-3 |
| Molecular Weight (g/mol) | 147.18 |
| MDL Number | MFCD00063015 |
| SMILES | CC(C1=CC=CC=C1)N=C=O |
| Synonym | r-+-1-phenylethyl isocyanate,1r-1-isocyanatoethyl benzene,r-+-alpha-methylbenzyl isocyanate,benzene, 1r-1-isocyanatoethyl,isocyanic acid r-+-1-phenylethyl ester,isocyanic acid r-+-alpha-methylbenzyl ester,isocyanic acid-r-+-methylbenzyl ester,1-isocyanatoethyl benzene #,+-alpha-methylbenzyl isocyanate,pubchem8096 |
| IUPAC Name | [(1R)-1-isocyanatoethyl]benzene |
| InChI Key | JJSCUXAFAJEQGB-MRVPVSSYSA-N |
| Molecular Formula | C9H9NO |
Cyclopentyl isocyanate, 97%
CAS: 4747-71-1 Molecular Formula: C6H9NO Molecular Weight (g/mol): 111.14 MDL Number: MFCD02093695 InChI Key: CZALJDQHONFVFU-UHFFFAOYSA-N Synonym: cyclopentyl isocyanate,cyclopentylisocyanate,cyclopentane, isocyanato,isocyanic acid cyclopentyl ester,isocyanato cyclopentane,isocyanato-cyclopentane,acmc-1aspa,ksc497s6f PubChem CID: 643500 IUPAC Name: isocyanatocyclopentane SMILES: C1CCC(C1)N=C=O
| PubChem CID | 643500 |
|---|---|
| CAS | 4747-71-1 |
| Molecular Weight (g/mol) | 111.14 |
| MDL Number | MFCD02093695 |
| SMILES | C1CCC(C1)N=C=O |
| Synonym | cyclopentyl isocyanate,cyclopentylisocyanate,cyclopentane, isocyanato,isocyanic acid cyclopentyl ester,isocyanato cyclopentane,isocyanato-cyclopentane,acmc-1aspa,ksc497s6f |
| IUPAC Name | isocyanatocyclopentane |
| InChI Key | CZALJDQHONFVFU-UHFFFAOYSA-N |
| Molecular Formula | C6H9NO |
4-Isocyanato-5-methyl-1-phenyl-1H-pyrazole 97+%, Thermo Scientific™
CAS: 799283-97-9 Molecular Formula: C11H9N3O Molecular Weight (g/mol): 199.213 InChI Key: IIFVDOYRTLEGHQ-UHFFFAOYSA-N Synonym: 4-isocyanato-5-methyl-1-phenyl-1h-pyrazole,5-methyl-1-phenylpyrazol-4-isocyanate,1h-pyrazole,4-isocyanato-5-methyl-1-phenyl,5-methyl-1-phenyl-1h-pyrazol-4-yl isocyanate,4-isocyanato-5-methyl-1h-pyrazol-4-yl benzene PubChem CID: 7164551 IUPAC Name: 4-isocyanato-5-methyl-1-phenylpyrazole SMILES: CC1=C(C=NN1C2=CC=CC=C2)N=C=O
| PubChem CID | 7164551 |
|---|---|
| CAS | 799283-97-9 |
| Molecular Weight (g/mol) | 199.213 |
| SMILES | CC1=C(C=NN1C2=CC=CC=C2)N=C=O |
| Synonym | 4-isocyanato-5-methyl-1-phenyl-1h-pyrazole,5-methyl-1-phenylpyrazol-4-isocyanate,1h-pyrazole,4-isocyanato-5-methyl-1-phenyl,5-methyl-1-phenyl-1h-pyrazol-4-yl isocyanate,4-isocyanato-5-methyl-1h-pyrazol-4-yl benzene |
| IUPAC Name | 4-isocyanato-5-methyl-1-phenylpyrazole |
| InChI Key | IIFVDOYRTLEGHQ-UHFFFAOYSA-N |
| Molecular Formula | C11H9N3O |
2,4-Dimethoxyphenyl isocyanate, 97%
CAS: 84370-87-6 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.175 MDL Number: MFCD00002005 InChI Key: WRAZHLRMDRTLOZ-UHFFFAOYSA-N Synonym: 2,4-dimethoxyphenyl isocyanate,2,4-dimethoxyphenylisocyanate,benzene, 1-isocyanato-2,4-dimethoxy,2,4-dimethoxybenzenisocyanate,acmc-20aocl,1-isocyanato-2,4-dimethoxy-benzene,#,benzene,1-isocyanato-2,4-dimethoxy,1-isocyanato-2,4-bis methyloxy benzene PubChem CID: 601637 IUPAC Name: 1-isocyanato-2,4-dimethoxybenzene SMILES: COC1=CC(=C(C=C1)N=C=O)OC
| PubChem CID | 601637 |
|---|---|
| CAS | 84370-87-6 |
| Molecular Weight (g/mol) | 179.175 |
| MDL Number | MFCD00002005 |
| SMILES | COC1=CC(=C(C=C1)N=C=O)OC |
| Synonym | 2,4-dimethoxyphenyl isocyanate,2,4-dimethoxyphenylisocyanate,benzene, 1-isocyanato-2,4-dimethoxy,2,4-dimethoxybenzenisocyanate,acmc-20aocl,1-isocyanato-2,4-dimethoxy-benzene,#,benzene,1-isocyanato-2,4-dimethoxy,1-isocyanato-2,4-bis methyloxy benzene |
| IUPAC Name | 1-isocyanato-2,4-dimethoxybenzene |
| InChI Key | WRAZHLRMDRTLOZ-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO3 |
(S)-(-)-1-Phenylethyl isocyanate, 98%
CAS: 14649-03-7 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00002036 InChI Key: JJSCUXAFAJEQGB-QMMMGPOBSA-N Synonym: s---1-phenylethyl isocyanate,1s-1-isocyanatoethyl benzene,s---alpha-methylbenzyl isocyanate,benzene, 1s-1-isocyanatoethyl,isocyanic acid s---a-methylbenzyl ester,s-alpha-methylbenzyl isocyanate,s---1-phenylethylisocyanate,isocyanic acid s---alpha-methylbenzyl ester,isocyanic acid s---methylbenzyl ester,1-isocyanatoethyl benzene # PubChem CID: 2724173 IUPAC Name: [(1S)-1-isocyanatoethyl]benzene SMILES: CC(C1=CC=CC=C1)N=C=O
| PubChem CID | 2724173 |
|---|---|
| CAS | 14649-03-7 |
| Molecular Weight (g/mol) | 147.177 |
| MDL Number | MFCD00002036 |
| SMILES | CC(C1=CC=CC=C1)N=C=O |
| Synonym | s---1-phenylethyl isocyanate,1s-1-isocyanatoethyl benzene,s---alpha-methylbenzyl isocyanate,benzene, 1s-1-isocyanatoethyl,isocyanic acid s---a-methylbenzyl ester,s-alpha-methylbenzyl isocyanate,s---1-phenylethylisocyanate,isocyanic acid s---alpha-methylbenzyl ester,isocyanic acid s---methylbenzyl ester,1-isocyanatoethyl benzene # |
| IUPAC Name | [(1S)-1-isocyanatoethyl]benzene |
| InChI Key | JJSCUXAFAJEQGB-QMMMGPOBSA-N |
| Molecular Formula | C9H9NO |
1-Adamantyl isocyanate, 98%
CAS: 4411-25-0 Molecular Formula: C11H15NO Molecular Weight (g/mol): 177.25 MDL Number: MFCD00134405 InChI Key: VBHCPGFCIQDXGZ-UHFFFAOYSA-N Synonym: 1-adamantyl isocyanate,1-isocyanato-adamantane,1-isocyantoadamantane,1-adamantylisocyanate,adamantanisocyanate,adamantyl isocyanate,pubchem8848,1-adamantyl-isocyanate,1-adamantanyl isocyanate,adamantane, 1-isocyanato PubChem CID: 2059995 IUPAC Name: 1-isocyanatoadamantane SMILES: O=C=NC12CC3CC(CC(C3)C1)C2
| PubChem CID | 2059995 |
|---|---|
| CAS | 4411-25-0 |
| Molecular Weight (g/mol) | 177.25 |
| MDL Number | MFCD00134405 |
| SMILES | O=C=NC12CC3CC(CC(C3)C1)C2 |
| Synonym | 1-adamantyl isocyanate,1-isocyanato-adamantane,1-isocyantoadamantane,1-adamantylisocyanate,adamantanisocyanate,adamantyl isocyanate,pubchem8848,1-adamantyl-isocyanate,1-adamantanyl isocyanate,adamantane, 1-isocyanato |
| IUPAC Name | 1-isocyanatoadamantane |
| InChI Key | VBHCPGFCIQDXGZ-UHFFFAOYSA-N |
| Molecular Formula | C11H15NO |
4-Ethylphenyl isocyanate, 98%
CAS: 23138-50-3 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00013881 InChI Key: FWPYUSLQCQDLJR-UHFFFAOYSA-N PubChem CID: 90007 IUPAC Name: 1-ethyl-4-isocyanatobenzene SMILES: CCC1=CC=C(C=C1)N=C=O
| PubChem CID | 90007 |
|---|---|
| CAS | 23138-50-3 |
| Molecular Weight (g/mol) | 147.177 |
| MDL Number | MFCD00013881 |
| SMILES | CCC1=CC=C(C=C1)N=C=O |
| IUPAC Name | 1-ethyl-4-isocyanatobenzene |
| InChI Key | FWPYUSLQCQDLJR-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO |
3-Chloropropyl isocyanate, 97%, Thermo Scientific Chemicals
CAS: 13010-19-0 Molecular Formula: C4H6ClNO Molecular Weight (g/mol): 119.55 MDL Number: MFCD00010384 InChI Key: RQAVSDINDRNIKL-UHFFFAOYSA-N Synonym: 3-chloropropyl isocyanate,3-chloropropylisocyanate,propane, 1-chloro-3-isocyanato,1-chloro-3-isocyanato-propane,chloropropylisocyanate,chloropropyl isocyanate,3-chloropropanisocyanate,chloro propyl isocyanate,acmc-20an5q,3-chloropropyl-isocyanate PubChem CID: 166752 IUPAC Name: 1-chloro-3-isocyanatopropane SMILES: ClCCCN=C=O
| PubChem CID | 166752 |
|---|---|
| CAS | 13010-19-0 |
| Molecular Weight (g/mol) | 119.55 |
| MDL Number | MFCD00010384 |
| SMILES | ClCCCN=C=O |
| Synonym | 3-chloropropyl isocyanate,3-chloropropylisocyanate,propane, 1-chloro-3-isocyanato,1-chloro-3-isocyanato-propane,chloropropylisocyanate,chloropropyl isocyanate,3-chloropropanisocyanate,chloro propyl isocyanate,acmc-20an5q,3-chloropropyl-isocyanate |
| IUPAC Name | 1-chloro-3-isocyanatopropane |
| InChI Key | RQAVSDINDRNIKL-UHFFFAOYSA-N |
| Molecular Formula | C4H6ClNO |
Benzyl isocyanate, 99+%
CAS: 3173-56-6 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00009701 InChI Key: YDNLNVZZTACNJX-UHFFFAOYSA-N Synonym: benzyl isocyanate,isocyanatomethyl benzene,benzylisocyanate,isocyanic acid benzyl ester,benzene, isocyanatomethyl,1-isocyanatomethyl benzene,phenylmethyl isocyanate,unii-8i2li357gq,phenylmethanisocyanate PubChem CID: 76639 IUPAC Name: isocyanatomethylbenzene SMILES: O=C=NCC1=CC=CC=C1
| PubChem CID | 76639 |
|---|---|
| CAS | 3173-56-6 |
| Molecular Weight (g/mol) | 133.15 |
| MDL Number | MFCD00009701 |
| SMILES | O=C=NCC1=CC=CC=C1 |
| Synonym | benzyl isocyanate,isocyanatomethyl benzene,benzylisocyanate,isocyanic acid benzyl ester,benzene, isocyanatomethyl,1-isocyanatomethyl benzene,phenylmethyl isocyanate,unii-8i2li357gq,phenylmethanisocyanate |
| IUPAC Name | isocyanatomethylbenzene |
| InChI Key | YDNLNVZZTACNJX-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO |
4-n-Butoxyphenyl isocyanate, 98%
CAS: 28439-86-3 Molecular Formula: C11H13NO2 Molecular Weight (g/mol): 191.23 MDL Number: MFCD00037042 InChI Key: ASFIDVOMDQBCNP-UHFFFAOYSA-N Synonym: 4-n-butoxyphenyl isocyanate,4-butoxyphenyl isocyanate,benzene, 1-butoxy-4-isocyanato,1-butoxy-4-isocyanato-benzene,pubchem16232,4-butoxybenzenisocyanate PubChem CID: 2769629 IUPAC Name: 1-butoxy-4-isocyanatobenzene SMILES: CCCCOC1=CC=C(C=C1)N=C=O
| PubChem CID | 2769629 |
|---|---|
| CAS | 28439-86-3 |
| Molecular Weight (g/mol) | 191.23 |
| MDL Number | MFCD00037042 |
| SMILES | CCCCOC1=CC=C(C=C1)N=C=O |
| Synonym | 4-n-butoxyphenyl isocyanate,4-butoxyphenyl isocyanate,benzene, 1-butoxy-4-isocyanato,1-butoxy-4-isocyanato-benzene,pubchem16232,4-butoxybenzenisocyanate |
| IUPAC Name | 1-butoxy-4-isocyanatobenzene |
| InChI Key | ASFIDVOMDQBCNP-UHFFFAOYSA-N |
| Molecular Formula | C11H13NO2 |