Dithio(4-aminobutyl)carbamic acid inner salt

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Names

[ CAS No. ]:
51250-16-9

[ Name ]:
Dithio(4-aminobutyl)carbamic acid inner salt

[Synonym ]:
4-Amino-diphenyl-arsonsaeure-(4')
(4'-Amino-biphenyl-4-yl)-arsonsaeure
4-aminobutyl-dithiocarbamic acid
S-aminobutyl-N-dithiocarbamic acid
(4-Amino-butyl)-dithiocarbamidsaeure
4-Aminobutan-dithiocarbaminsaeure
(4'-amino-biphenyl-4-yl)-arsonic acid

Chemical & Physical Properties

[ Density]:
1.152g/cm3

[ Boiling Point ]:
251.6ºC at 760 mmHg

[ Molecular Formula ]:
C5H12N2S2

[ Molecular Weight ]:
164.29200

[ Flash Point ]:
106ºC

[ Exact Mass ]:
164.04400

[ PSA ]:
108.94000

[ LogP ]:
1.62080

[ Index of Refraction ]:
1.581

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EY8540000
CHEMICAL NAME :
Carbamic acid, (4-aminobutyl)dithio-, inner salt
CAS REGISTRY NUMBER :
51250-16-9
BEILSTEIN REFERENCE NO. :
1753541
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C5-H12-N2-S2
MOLECULAR WEIGHT :
164.31
WISWESSER LINE NOTATION :
ZH4MYS&US &1/6

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 10,619,1975
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
316 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00677

Safety Information

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Carbon disulphide
  • putrescine

DownStream

  • hydrogen sulfide
  • putrescine
  • 1,3-diethyl-1,3-diazepan-2-one

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Related Compounds

  • N-α-Fmoc-L-aspartyl-γ-(4-aminobutyl) carbamic acid tert-butyl ester
  • Benzyl (4-aminobutyl)methylcarbamate
  • N-(4-AMINOBUTYL)-N-METHYL CARBAMIC ACID TERT-BUTYL ESTER-HCl
  • 2-Oxazoline-4-carbamic acid,2,4-dimethyl-5-oxo-,benzyl ester (8CI)
  • 2-Methyl-2-propanyl (4-aminobutyl)methylcarbamate ethanedioate (1:1)
  • 9H-fluoren-9-ylmethyl N-(4-aminobutyl)carbamate