Basic information
- CAS
33021-93-1- Standard SMILES
CC(C)(Cc1ccccc1)NC(=O)N(CCCl)N=O- InChIKey
HNFHQWTYUXBRNW-UHFFFAOYSA-N- Molecular formula
- C13H18ClN3O2
- Average molar mass
- 283.75 g/mol
- Monoisotopic mass
- 283.1087545
Names & identifiers
- Preferred name
- Urea, 1-(2-chloroethyl)-3-(alpha,alpha-dimethylphenethyl)-1-nitroso-
- IUPAC
- 1-(2-chloroethyl)-3-(2-methyl-1-phenylpropan-2-yl)-1-nitrosourea
- English name
- N-(2-Chloroethyl)-N'-(1,1-dimethyl-2-phenylethyl)-N-nitrosourea
- Molecular weight
- 0
Names & synonyms
33021-93-1Urea, 1-(2-chloroethyl)-3-(alpha,alpha-dimethylphenethyl)-1-nitroso-RefChem:1100730N-(2-chloroethyl)-N'-(1,1-dimethyl-2-phenylethyl)-N-nitrosoureaNSC 1044711-(2-Chloroethyl)-3-(alpha,alpha-dimethylphenethyl)-1-nitrosoureaBRN 2143919NSC104471Urea, N-(2-chloroethyl)-N'-(1,1-dimethyl-2-phenylethyl)-N-nitroso-CHEMBL11976DTXSID70877261NSC-104471
Show more names
1-(2-Chloroethyl)-3-(α,α-dimethylphenethyl)-1-nitrosourea
DB-277150Urea,.alpha.-dimethylphenethyl)-1-nitroso-Urea,1-dimethyl-2-phenylethyl)-N-nitroso-N-(2-Chloroethyl)-N'-(2-methyl-1-phenylpropan-2-yl)-N-nitrosourea
Database identifiers
- CAS
33021-93-1- PubChem CID
- 97189
- DTXSID
DTXSID70877261- ChEMBL
CHEMBL11976- Nikkaji
- J48.890I
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 304
Experimental & physicochemical properties
LogP3.73
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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