Basic information
- CAS
2365-30-2- Standard SMILES
NC(=O)N(CCCl)N=O- InChIKey
NVKGVBZZSJFQLM-UHFFFAOYSA-N- Molecular formula
- C3H6ClN3O2
- Average molar mass
- 151.55 g/mol
- Monoisotopic mass
- 151.0148541
Names & identifiers
- Preferred name
- 1-(2-Chloroethyl)-1-nitrosourea
- IUPAC
- 1-(2-chloroethyl)-1-nitrosourea
- English name
- 1-(2-chloroethyl)-1-nitrosourea
- Molecular formula
- C3H6ClN3O2
- Molecular weight
- 151.55
Names & synonyms
1-(2-Chloroethyl)-1-nitrosourea2365-30-2ChloroethylnitrosoureaN-(2-Chloroethyl)-N-nitrosoureaUrea, N-(2-chloroethyl)-N-nitroso-MP 655SKI 28404NSC-47547HP3XC9MWW5N-2-chloroethylnitrosoureaDTXSID50178324RefChem:74103
Show more names
CHLOROETHYL-NITROSUREACaprylic Acid Impurity 18
DTXCID80100815NSC 47547Urea, 1-(2-chloroethyl)-1-nitroso-CNU2-Chloroethyl-N-nitrosoureaN-Chloroethyl-N-nitrosoureaN-Nitroso-2-chloroethylureaCCRIS 862
Database identifiers
- CAS
2365-30-2- PubChem CID
- 75394
- DTXSID
DTXSID50178324- ChEMBL
CHEMBL12746- UNII
- HP3XC9MWW5
- Nikkaji
- J36.441J
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 118
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitrosamines
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Vapor Pressure0.00249 [mmHg]
Physicochemical properties
- Melting point
- 78 °C · 78 °C
- Boiling point
- -103.9 °C · -103.9°C (estimate)
- Density
- 1.8802 · 1.8802 (rough estimate)
- refractive index
- 1.5 · 1.5000 (estimate)
- pka
- 12.13 · 12.13±0.50(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryIntraperitoneal LD50 (mouse) = 4.3 mg/kg; [RTECS] See NITROSAMINES.
Chemistry & industry
Suppliers1 total
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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