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Organonitrogen Compounds

Organic compounds that contain one or more nitrogen atoms.
Alkanolamines (15)
Secondary amines (14)
Tertiary amines (10)
Guanidines (6)
Amidines (3)
Organic nitroso compounds (3)
Primary amines (3)
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1

Spectrum Chemical Manufacturing Corporation Tromethamine, USP, 99-101%, Spectrum™ Chemical
SDP

CAS: 77-86-1 Molecular Formula: C4H11NO3 Molecular Weight (g/mol): 121.14 InChI Key: LENZDBCJOHFCAS-UHFFFAOYSA-N IUPAC Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol SMILES: NC(CO)(CO)CO

CAS 77-86-1
Molecular Weight (g/mol) 121.14
SMILES NC(CO)(CO)CO
IUPAC Name 2-amino-2-(hydroxymethyl)propane-1,3-diol
InChI Key LENZDBCJOHFCAS-UHFFFAOYSA-N
Molecular Formula C4H11NO3
2

Tromethamine, USP, 99-101%, Spectrum™ Chemical
SDP

CAS: 77-86-1 Molecular Formula: C4H11NO3 Molecular Weight (g/mol): 121.14 InChI Key: LENZDBCJOHFCAS-UHFFFAOYSA-N IUPAC Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol SMILES: NC(CO)(CO)CO

CAS 77-86-1
Molecular Weight (g/mol) 121.14
SMILES NC(CO)(CO)CO
IUPAC Name 2-amino-2-(hydroxymethyl)propane-1,3-diol
InChI Key LENZDBCJOHFCAS-UHFFFAOYSA-N
Molecular Formula C4H11NO3
3

Diethylamine, Reagent, 98%, Spectrum™ Chemical
SDP

CAS: 109-89-7 Molecular Formula: C4H11N Molecular Weight (g/mol): 73.14 MDL Number: MFCD00009032 InChI Key: HPNMFZURTQLUMO-UHFFFAOYSA-N IUPAC Name: diethylamine SMILES: CCNCC

CAS 109-89-7
Molecular Weight (g/mol) 73.14
MDL Number MFCD00009032
SMILES CCNCC
IUPAC Name diethylamine
InChI Key HPNMFZURTQLUMO-UHFFFAOYSA-N
Molecular Formula C4H11N
4

1,4,8,11-Tetraazacyclotetradecane 98.0+%, TCI America™

CAS: 295-37-4 Molecular Formula: C10H24N4 Molecular Weight (g/mol): 200.33 MDL Number: MFCD00005105 InChI Key: MDAXKAUIABOHTD-UHFFFAOYSA-N Synonym: 1,4,8,11-tetraazacyclotetradecane,cyclam,14 anen4,1,4,8,11-tetraazacyclo-tetradecane,1,4,8,11-tetraazacyclotetradecane cyclam,ips2,acmc-209h9n,5-26-11-00027 beilstein handbook reference,1,8,11-tetraazacyclotetradecane,1,4,8,11tetraaza-cyclotetradecane PubChem CID: 64964 ChEBI: CHEBI:37401 IUPAC Name: 1,4,8,11-tetrazacyclotetradecane SMILES: C1CNCCNCCCNCCNC1

PubChem CID 64964
CAS 295-37-4
Molecular Weight (g/mol) 200.33
ChEBI CHEBI:37401
MDL Number MFCD00005105
SMILES C1CNCCNCCCNCCNC1
Synonym 1,4,8,11-tetraazacyclotetradecane,cyclam,14 anen4,1,4,8,11-tetraazacyclo-tetradecane,1,4,8,11-tetraazacyclotetradecane cyclam,ips2,acmc-209h9n,5-26-11-00027 beilstein handbook reference,1,8,11-tetraazacyclotetradecane,1,4,8,11tetraaza-cyclotetradecane
IUPAC Name 1,4,8,11-tetrazacyclotetradecane
InChI Key MDAXKAUIABOHTD-UHFFFAOYSA-N
Molecular Formula C10H24N4
5

1,4,8,11-Tetraazacyclotetradecane, 98%

CAS: 295-37-4 Molecular Formula: C10H24N4 Molecular Weight (g/mol): 200.33 MDL Number: MFCD00005105 InChI Key: MDAXKAUIABOHTD-UHFFFAOYSA-N Synonym: 1,4,8,11-tetraazacyclotetradecane,cyclam,14 anen4,1,4,8,11-tetraazacyclo-tetradecane,1,4,8,11-tetraazacyclotetradecane cyclam,ips2,acmc-209h9n,5-26-11-00027 beilstein handbook reference,1,8,11-tetraazacyclotetradecane,1,4,8,11tetraaza-cyclotetradecane PubChem CID: 64964 ChEBI: CHEBI:37401 IUPAC Name: 1,4,8,11-tetrazacyclotetradecane SMILES: C1CNCCNCCCNCCNC1

PubChem CID 64964
CAS 295-37-4
Molecular Weight (g/mol) 200.33
ChEBI CHEBI:37401
MDL Number MFCD00005105
SMILES C1CNCCNCCCNCCNC1
Synonym 1,4,8,11-tetraazacyclotetradecane,cyclam,14 anen4,1,4,8,11-tetraazacyclo-tetradecane,1,4,8,11-tetraazacyclotetradecane cyclam,ips2,acmc-209h9n,5-26-11-00027 beilstein handbook reference,1,8,11-tetraazacyclotetradecane,1,4,8,11tetraaza-cyclotetradecane
IUPAC Name 1,4,8,11-tetrazacyclotetradecane
InChI Key MDAXKAUIABOHTD-UHFFFAOYSA-N
Molecular Formula C10H24N4
6

Diethanolamine, Reagent, ACS, 98.5%, Spectrum™ Chemical
SDP

CAS: 111-42-2 Molecular Formula: C4H11NO2 Molecular Weight (g/mol): 105.14 MDL Number: MFCD00002843 InChI Key: ZBCBWPMODOFKDW-UHFFFAOYSA-N IUPAC Name: 2-[(2-hydroxyethyl)amino]ethan-1-ol SMILES: OCCNCCO

CAS 111-42-2
Molecular Weight (g/mol) 105.14
MDL Number MFCD00002843
SMILES OCCNCCO
IUPAC Name 2-[(2-hydroxyethyl)amino]ethan-1-ol
InChI Key ZBCBWPMODOFKDW-UHFFFAOYSA-N
Molecular Formula C4H11NO2
7

1,4,8,11-Tetramethyl-1,4,8,11-tetraazacyclotetradecane 98.0+%, TCI America™

CAS: 41203-22-9 Molecular Formula: C14H36N4 Molecular Weight (g/mol): 260.47 MDL Number: MFCD00005106 InChI Key: HRFJEOWVAGSJNW-UHFFFAOYNA-R PubChem CID: 123502 IUPAC Name: 1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetraium SMILES: C[NH+]1CCC[NH+](C)CC[NH+](C)CCC[NH+](C)CC1

PubChem CID 123502
CAS 41203-22-9
Molecular Weight (g/mol) 260.47
MDL Number MFCD00005106
SMILES C[NH+]1CCC[NH+](C)CC[NH+](C)CCC[NH+](C)CC1
IUPAC Name 1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetraium
InChI Key HRFJEOWVAGSJNW-UHFFFAOYNA-R
Molecular Formula C14H36N4
8

4-Amidinobenzamide Hydrochloride 92.0+%, TCI America™

CAS: 59855-11-7 Molecular Formula: C8H10ClN3O Molecular Weight (g/mol): 199.638 MDL Number: MFCD00013011 InChI Key: IYIAWOSYBLPUNL-UHFFFAOYSA-N Synonym: 4-amidinobenzamide hydrochloride,4-carbamimidoylbenzamide hydrochloride,4-amidino-benzoic acid amide hydrochloride,acmc-1awl9,4-amidinobenzamide hcl,4-carbamimidoyl-benzamide,hydrochloride,4-amidinobenzoic acid amide hydrochloride,4-amino imino methyl benzamide hydrochloride,benzamide, 4-aminoiminomethyl-, hydrochloride,benzamide,4-aminoiminomethyl-, hydrochloride 1:1 PubChem CID: 2724293 IUPAC Name: 4-carbamimidoylbenzamide;hydrochloride SMILES: C1=CC(=CC=C1C(=N)N)C(=O)N.Cl

PubChem CID 2724293
CAS 59855-11-7
Molecular Weight (g/mol) 199.638
MDL Number MFCD00013011
SMILES C1=CC(=CC=C1C(=N)N)C(=O)N.Cl
Synonym 4-amidinobenzamide hydrochloride,4-carbamimidoylbenzamide hydrochloride,4-amidino-benzoic acid amide hydrochloride,acmc-1awl9,4-amidinobenzamide hcl,4-carbamimidoyl-benzamide,hydrochloride,4-amidinobenzoic acid amide hydrochloride,4-amino imino methyl benzamide hydrochloride,benzamide, 4-aminoiminomethyl-, hydrochloride,benzamide,4-aminoiminomethyl-, hydrochloride 1:1
IUPAC Name 4-carbamimidoylbenzamide;hydrochloride
InChI Key IYIAWOSYBLPUNL-UHFFFAOYSA-N
Molecular Formula C8H10ClN3O
9

Metformin Hydrochloride, BP, 98.5-101%, Spectrum™ Chemical
SDP

CAS: 1115-70-4 Molecular Formula: C4H12ClN5 Molecular Weight (g/mol): 165.63 MDL Number: MFCD00012582 InChI Key: OETHQSJEHLVLGH-UHFFFAOYSA-N IUPAC Name: hydrogen 1-[(diaminomethylidene)amino]-N,N-dimethylmethanimidamide chloride SMILES: [H+].[Cl-].CN(C)C(=N)N=C(N)N

CAS 1115-70-4
Molecular Weight (g/mol) 165.63
MDL Number MFCD00012582
SMILES [H+].[Cl-].CN(C)C(=N)N=C(N)N
IUPAC Name hydrogen 1-[(diaminomethylidene)amino]-N,N-dimethylmethanimidamide chloride
InChI Key OETHQSJEHLVLGH-UHFFFAOYSA-N
Molecular Formula C4H12ClN5
10

11-Azido-3,6,9-trioxaundecanol 97.0+%, TCI America™

CAS: 86770-67-4 Molecular Formula: C8H17N3O4 Molecular Weight (g/mol): 219.241 MDL Number: MFCD03701128 InChI Key: MBQYGQMGPFNSAP-UHFFFAOYSA-N Synonym: PEG4-Azide PubChem CID: 4614742 IUPAC Name: 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanol SMILES: C(COCCOCCOCCO)N=[N+]=[N-]

PubChem CID 4614742
CAS 86770-67-4
Molecular Weight (g/mol) 219.241
MDL Number MFCD03701128
SMILES C(COCCOCCOCCO)N=[N+]=[N-]
Synonym PEG4-Azide
IUPAC Name 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanol
InChI Key MBQYGQMGPFNSAP-UHFFFAOYSA-N
Molecular Formula C8H17N3O4
11

N-Butyl-N-(4-hydroxybutyl)nitrosamine 90.0+%, TCI America™

CAS: 3817-11-6 Molecular Formula: C8H18N2O2 Molecular Weight (g/mol): 174.24 MDL Number: MFCD00059008 InChI Key: DIKPQFXYECAYPC-UHFFFAOYSA-N Synonym: N-Butyl-N-butan-4-ol-nitrosamine, N-Butyl-N-nitroso-4-aminobutanol, BBN PubChem CID: 19665 IUPAC Name: N-butyl-N-(4-hydroxybutyl)nitrous amide SMILES: CCCCN(CCCCO)N=O

PubChem CID 19665
CAS 3817-11-6
Molecular Weight (g/mol) 174.24
MDL Number MFCD00059008
SMILES CCCCN(CCCCO)N=O
Synonym N-Butyl-N-butan-4-ol-nitrosamine, N-Butyl-N-nitroso-4-aminobutanol, BBN
IUPAC Name N-butyl-N-(4-hydroxybutyl)nitrous amide
InChI Key DIKPQFXYECAYPC-UHFFFAOYSA-N
Molecular Formula C8H18N2O2
12

N,N'-Bis[4-(diphenylamino)phenyl]-N,N'-di(1-naphthyl)benzidine 98.0+%, TCI America™

CAS: 910058-11-6 Molecular Formula: C68H50N4 Molecular Weight (g/mol): 923.176 MDL Number: MFCD20488037 InChI Key: NXTRQJAJPCXJPY-UHFFFAOYSA-N PubChem CID: 22983487 SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)N(C4=CC=C(C=C4)C5=CC=C(C=C5)N(C6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC1=CC=CC=C19)C1=CC=CC2=CC=CC=C21

PubChem CID 22983487
CAS 910058-11-6
Molecular Weight (g/mol) 923.176
MDL Number MFCD20488037
SMILES C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)N(C4=CC=C(C=C4)C5=CC=C(C=C5)N(C6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC1=CC=CC=C19)C1=CC=CC2=CC=CC=C21
InChI Key NXTRQJAJPCXJPY-UHFFFAOYSA-N
Molecular Formula C68H50N4
13

Amoxapine 97.0+%, TCI America™

CAS: 14028-44-5 Molecular Formula: C17H16ClN3O Molecular Weight (g/mol): 313.785 MDL Number: MFCD00069210 InChI Key: QWGDMFLQWFTERH-UHFFFAOYSA-N Synonym: amoxapine,asendin,demolox,moxadil,amoxan,amoxapinum,amoxapina,amoxepine,asendis,desmethylloxapin PubChem CID: 2170 ChEBI: CHEBI:2675 IUPAC Name: 8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepine SMILES: C1CN(CCN1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl

PubChem CID 2170
CAS 14028-44-5
Molecular Weight (g/mol) 313.785
ChEBI CHEBI:2675
MDL Number MFCD00069210
SMILES C1CN(CCN1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl
Synonym amoxapine,asendin,demolox,moxadil,amoxan,amoxapinum,amoxapina,amoxepine,asendis,desmethylloxapin
IUPAC Name 8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepine
InChI Key QWGDMFLQWFTERH-UHFFFAOYSA-N
Molecular Formula C17H16ClN3O
14

N,N'-Diisopropyl-O-(4-nitrobenzyl)isourea 95.0+%, TCI America™

CAS: 2978-11-2 Molecular Formula: C14H21N3O3 Molecular Weight (g/mol): 279.34 MDL Number: MFCD00042046 InChI Key: FYDMCLCYYCIDMZ-UHFFFAOYSA-N Synonym: O-(4-Nitrobenzyl)-N,N′C-diisopropylisourea, 1,3-Diisopropyl-2-(4-nitrobenzyl)isourea PubChem CID: 76317 IUPAC Name: (4-nitrophenyl)methyl N,N'-di(propan-2-yl)carbamimidate SMILES: CC(C)NC(=NC(C)C)OCC1=CC=C(C=C1)[N+](=O)[O-]

PubChem CID 76317
CAS 2978-11-2
Molecular Weight (g/mol) 279.34
MDL Number MFCD00042046
SMILES CC(C)NC(=NC(C)C)OCC1=CC=C(C=C1)[N+](=O)[O-]
Synonym O-(4-Nitrobenzyl)-N,N′C-diisopropylisourea, 1,3-Diisopropyl-2-(4-nitrobenzyl)isourea
IUPAC Name (4-nitrophenyl)methyl N,N'-di(propan-2-yl)carbamimidate
InChI Key FYDMCLCYYCIDMZ-UHFFFAOYSA-N
Molecular Formula C14H21N3O3
15

2,4,6-Tris[bis(methoxymethyl)amino]-1,3,5-triazine 98.0+%, TCI America™

CAS: 3089-11-0 Molecular Formula: C15H30N6O6 Molecular Weight (g/mol): 390.441 MDL Number: MFCD00047342 InChI Key: BNCADMBVWNPPIZ-UHFFFAOYSA-N PubChem CID: 62479 IUPAC Name: 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine SMILES: COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(COC)COC

PubChem CID 62479
CAS 3089-11-0
Molecular Weight (g/mol) 390.441
MDL Number MFCD00047342
SMILES COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(COC)COC
IUPAC Name 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
InChI Key BNCADMBVWNPPIZ-UHFFFAOYSA-N
Molecular Formula C15H30N6O6