3-[(2-chloroethyl-nitroso-carbamoyl)amino]propanoic acid

Modify Date: 2024-07-18 12:49:57

3-[(2-chloroethyl-nitroso-carbamoyl)amino]propanoic acid Structure
3-[(2-chloroethyl-nitroso-carbamoyl)amino]propanoic acid structure
 Common Name 3-[(2-chloroethyl-nitroso-carbamoyl)amino]propanoic acid
CAS Number 79955-38-7 Molecular Weight 223.61400
Density 1.51g/cm3 Boiling Point N/A
Molecular Formula C6H10ClN3O4 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 3-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.51g/cm3
Molecular Formula C6H10ClN3O4
Molecular Weight 223.61400
Exact Mass 223.03600
PSA 99.07000
LogP 0.78380
Index of Refraction 1.566

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AY4351000
CHEMICAL NAME :
beta-Alanine, N-((2-chloroethyl)nitrosocarbamoyl)-
CAS REGISTRY NUMBER :
79955-38-7
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C6-H10-Cl-N3-O4
MOLECULAR WEIGHT :
223.64

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 :
50 mg/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: 19,512,1984

 Synthetic Route

N-(chloro-2-ethyl)-N-nitrosocarbamate du trichloro-2,4,5 thiophenol structure

N-(chloro-2-eth...

CAS#:96408-95-6

beta-Alanine structure

beta-Alanine

CAS#:107-95-9

~25%

3-[(2-chloroethyl-nitroso-carbamoyl)amino]propanoic acid Structure

3-[(2-chloroeth...

CAS#:79955-38-7

Literature: Montero; Leydet; Messiez-Munoz; et al. European Journal of Medicinal Chemistry, 1984 , vol. 19, # 6 p. 512 - 518

 Precursor & DownStream

Precursor  1

DownStream  0

 Synonyms

1-(2-Chloroethyl)-1-nitroso-3-(2-carboxyethyl)-urea
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Chemsrc provides CAS#:79955-38-7 MSDS, density, melting point, boiling point, structure, etc. Its name is 3-[(2-chloroethyl-nitroso-carbamoyl)amino]propanoic acid>> amp version: 3-[(2-chloroethyl-nitroso-carbamoyl)amino]propanoic acid

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