Basic information
- CAS
33021-99-7- Standard SMILES
CC12CC3(C)CC(C)(C1)CC(NC(=O)N(CCCl)N=O)(C2)C3- InChIKey
RVKXSUCLMXKRLW-UHFFFAOYSA-N- Molecular formula
- C16H26ClN3O2
- Average molar mass
- 327.8 g/mol
- Monoisotopic mass
- 327.1713548
Names & identifiers
- Preferred name
- Urea, 1-(2-chloroethyl)-1-nitroso-3-(3,5,7-trimethyl-1-adamantyl)-
- IUPAC
- 1-(2-chloroethyl)-1-nitroso-3-(3,5,7-trimethyl-1-adamantyl)urea
- English name
- N-(2-Chloroethyl)-N-nitroso-N'-(3,5,7-trimethyltricyclo[3.3.1.13,7]decan-1-yl)urea
- Molecular formula
- C16H26ClN3O2
- Molecular weight
- 327.85
Names & synonyms
33021-99-7NSC 105768BRN 21628011-(2-Chloroethyl)-1-nitroso-3-(3,5,7-trimethyl-1-adamantyl)ureaUrea, 1-(2-chloroethyl)-1-nitroso-3-(3,5,7-trimethyl-1-adamantyl)-DTXSID20186673N-(2-Chloroethyl)-N-nitroso-N'-(3,5,7-trimethyltricyclo(3.3.1.1(sup 3,7))dec-1-yl)ureaUrea, N-(2-chloroethyl)-N-nitroso-N'-(3,5,7-trimethyltricyclo(3.3.1.1(sup 3,7))dec-1-yl)-Urea, N-(2-chloroethyl)-N-nitroso-N'-(3,5,7-trimethyltricyclo(3.3.1.13,7)dec-1-yl)-RefChem:387314DTXCID60109164Urea, N-(2-chloroethyl)-N-nitroso-N'-(3,5,7-trimethyltricyclo(3.3.1.13,7)dec-1-yl)-(9CI)
Show more names
1-(2-Chloroethyl)-1-nitroso-3-(3,5,7-trimethyladamantan-1-yl)ureaUrea, N-(2-chloroethyl)-N-nitroso-N'-(3,5,7-trimethyltricyclo[3.3.1.13,7]dec-1-yl)-
N-(2-Chloroethyl)-N-nitroso-N'-(3,5,7-trimethyltricyclo[3.3.1.13,7]decan-1-yl)ureaNSC105768CHEMBL11985NSC-105768DB-277153Urea,5,7-trimethyltricyclo[3.3.1.13,7]dec-1-yl)-N-(2-Chloroethyl)-N-nitroso-N'-(3,5,7-trimethyladamantan-1-yl)ureaUrea, 1-(2-chloroethyl)-1-nitro-3-(3,5,7-trimethyl-1-adamantyl)-
Database identifiers
- CAS
33021-99-7- PubChem CID
- 64291
- DTXSID
DTXSID20186673- ChEMBL
CHEMBL11985- Nikkaji
- J48.894A
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 450
Experimental & physicochemical properties
LogP5.75
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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