-
Name
1-(2-chloroethyl)-3-[2-[2-[(2-chloroethyl-nitroso-carbamoyl)amino]ethy ldisulfanyl]ethyl]-1-nitroso-urea
- EINECS
- CAS No. 77469-44-4
- Article Data3
- CAS DataBase
- Density 1.7040 (rough estimate)
- Solubility
- Melting Point
- Formula C10H18 Cl2 N6 O4 S2
- Boiling Point
- Molecular Weight 421.329
- Flash Point
- Transport Information
- Appearance
- Safety Poison by ingestion and intraperitoneal routes. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl−, SOx and NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms ICIG 1725
- PSA 201.14000
- LogP 2.57780
N,N'-Bis((2-chloroethyl)-N-nitrosocarbamoyl)cystamine Chemical Properties
IUPAC Name: 1-(2-chloroethyl)-3-[2-[2-[[2-chloroethyl(nitroso)carbamoyl]amino]ethyldisulfanyl]ethyl]-1-nitrosourea
Synonyms of N,N'-Bis((2-chloroethyl)-N-nitrosocarbamoyl)cystamine (CAS NO.77469-44-4): 1,1'-Dithiodiethylenebis(3-(2-chloroethyl)-3-nitrosourea) ; 5,6-Dithia-2,9,11-triazatridecanamide, 13-chloro-N-(2-chloroethyl)-N,11-dinitroso-10-oxo- ; BRN 5158294 ; CNCC ; Di((chloro-2-ethyl)-2-N-nitroso-N-carbamoyl)-N,N-cystamine ; I.C.I.G. 1325 ; Urea, 1,1'-dithiodiethylenebis(3-(2-chloroethyl)-3-nitroso-
CAS NO: 77469-44-4
Molecular Formula of N,N'-Bis((2-chloroethyl)-N-nitrosocarbamoyl)cystamine (CAS NO.77469-44-4): C10H18Cl2N6O4S2
Molecular Weight: 421.3237
H bond acceptors: 10
H bond donors: 2
Freely Rotating Bonds: 13
Polar Surface Area: 156.56 Å2
Index of Refraction: 1.635
Molar Refractivity: 96.99 cm3
Molar Volume: 270.8 cm3
Surface Tension: 64.3 dyne/cm
Density of N,N'-Bis((2-chloroethyl)-N-nitrosocarbamoyl)cystamine (CAS NO.77469-44-4): 1.55 g/cm3
Molecular Structure:
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N,N'-Bis((2-chloroethyl)-N-nitrosocarbamoyl)cystamine Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 75mg/kg (75mg/kg) | INSERM Symposium. Vol. 19, Pg. 123, 1981. | |
| mouse | LD50 | oral | 280mg/kg (280mg/kg) | INSERM Symposium. Vol. 19, Pg. 123, 1981. |
N,N'-Bis((2-chloroethyl)-N-nitrosocarbamoyl)cystamine Safety Profile
Poison by ingestion and intraperitoneal routes. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl−, SOx and NOx.
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