1,1-Di-(2-bromoethyl)-4-nitroso-4-(2-chloroethyl)semicarbazide
Basic information
- CAS
127146-24-1- Standard SMILES
O=NN(CCCl)C(=O)NN(CCBr)CCBr- InChIKey
VKNRUZARYAUWFM-UHFFFAOYSA-N- Molecular formula
- C7H13Br2ClN4O2
- Average molar mass
- 380.46 g/mol
- Monoisotopic mass
- 377.90938
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1,1-Di-(2-bromoethyl)-4-nitroso-4-(2-chloroethyl)semicarbazide
- IUPAC
- 3-[bis(2-bromoethyl)amino]-1-(2-chloroethyl)-1-nitrosourea
- English name
- 1,1-di-(2-bromoethyl)-4-nitroso-4-(2-chloroethyl)semicarbazide
- Molecular formula
- C7H13Br2ClN4O2
- Molecular weight
- 380.46
Names & synonyms
1,1-Dbncs127146-24-11,1-Di-(2-bromoethyl)-4-nitroso-4-(2-chloroethyl)semicarbazideDTXSID40155442RefChem:71006DTXCID50779332,2-Bis(2-bromoethyl)-N-(2-chloroethyl)-N-nitrosohydrazine-1-carboxamideHydrazinecarboxamide, 2,2-bis(2-bromoethyl)-N-(2-chloroethyl)-N-nitroso-
Database identifiers
- CAS
127146-24-1- PubChem CID
- 3035501
- DTXSID
DTXSID40155442
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Density
- 1.85 · 1.85±0.1 g/cm3(Predicted)
- pka
- 8.29 · 8.29±0.50(Predicted)
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Related reactions
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Compound notes
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