N'-(3-tert-Butylcyclohexyl)-N-(2-chloroethyl)-N-nitrosocarbamimidic acid
Basic information
- CAS
33021-96-4- Standard SMILES
CC(C)(C)C1CCCC(NC(=O)N(CCCl)N=O)C1- InChIKey
LTXPNHSMRSFKEW-UHFFFAOYSA-N- Molecular formula
- C13H24ClN3O2
- Average molar mass
- 289.8 g/mol
- Monoisotopic mass
- 289.1557047
Names & identifiers
- Preferred name
- N'-(3-tert-Butylcyclohexyl)-N-(2-chloroethyl)-N-nitrosocarbamimidic acid
- IUPAC
- 3-(3-tert-butylcyclohexyl)-1-(2-chloroethyl)-1-nitrosourea
- English name
- 3-(3-tert-Butylcyclohexyl)-1-(2-chloroethyl)-1-nitrosourea
- Molecular formula
- C13H24ClN3O2
- Molecular weight
- 0
Names & synonyms
33021-96-4DTXSID50954640N'-(3-tert-Butylcyclohexyl)-N-(2-chloroethyl)-N-nitrosocarbamimidic acidRefChem:1090139DTXCID7013826543-(3-tert-Butylcyclohexyl)-1-(2-chloroethyl)-1-nitrosoureaUrea, 3-(3-tert-butylcyclohexyl)-1-(2-chloroethyl)-1-nitroso-BRN 3973033NSC 110778CHEMBL274338NSC110778NSC-110778
Show more names
(+-)-N'--N--N-nitroso-harnstoff
DB-261680
Database identifiers
- CAS
33021-96-4- PubChem CID
- 98349
- DTXSID
DTXSID50954640- ChEMBL
CHEMBL274338- Nikkaji
- J49.094F
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 318
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Related reactions
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Compound notes
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