propan-2-yl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate,hydrochloride

Names

[ CAS No. ]:
26281-64-1

[ Name ]:
propan-2-yl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate,hydrochloride

[Synonym ]:
1H-1,3-Diazepine-4-carboxylic acid,hexahydro-2-imino-,isopropyl ester,monohydrochloride,(-)
OG 90
(-)-Hexahydro-2-imino-1H-1,3-diazepine-4-carboxylic acid isopropyl ester hydrochloride
propan-2-yl 2-amino-4,5,6,7-tetrahydro-1h-1,3-diazepine-7-carboxylate hydrochloride(1:1)

Chemical & Physical Properties

[ Boiling Point ]:
306.8ºC at 760mmHg

[ Molecular Formula ]:
C9H18ClN3O2

[ Molecular Weight ]:
235.71100

[ Flash Point ]:
139.3ºC

[ Exact Mass ]:
235.10900

[ PSA ]:
74.21000

[ LogP ]:
1.77370

[ Vapour Pressure ]:
0.000755mmHg at 25°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
HM3657000
CHEMICAL NAME :
1H-1,3-Diazepine-4-carboxylic acid, hexahydro-2-imino-, isopropyl ester, monohydrochloride, (-)-
CAS REGISTRY NUMBER :
26281-64-1
LAST UPDATED :
199112
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C9-H17-N3-O2.Cl-H
MOLECULAR WEIGHT :
235.75
WISWESSER LINE NOTATION :
T7MYMTJ BUM DVOY1&1 &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
450 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 185,159,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
42 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Autonomic Nervous System - ganglion facilitant
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 189,408,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6200 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 185,159,1970

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • Ethyl 4-chloro-2,6-dimethyl-5-pyrimidinecarboxylate
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide