3-(1-Adamantyl)-1-(2-chloroethyl)-1-nitrosourea
Basic information
- CAS
14039-10-2- Standard SMILES
O=NN(CCCl)C(=O)NC12CC3CC(CC(C3)C1)C2- InChIKey
OWGOPGLJEHFHQR-UHFFFAOYSA-N- Molecular formula
- C13H20ClN3O2
- Average molar mass
- 285.77 g/mol
- Monoisotopic mass
- 285.1244046
Names & identifiers
- Preferred name
- 3-(1-Adamantyl)-1-(2-chloroethyl)-1-nitrosourea
- IUPAC
- 3-(1-adamantyl)-1-(2-chloroethyl)-1-nitrosourea
- English name
- 1-(1-Adamantyl)-3-(2-chloroethyl)-3-nitrosourea
- Molecular formula
- C13H20ClN3O2
- Molecular weight
- 0
Names & synonyms
3-(1-Adamantyl)-1-(2-chloroethyl)-1-nitrosoureaNSC-8605614039-10-2SRI 2587Urea, 1-(1-adamantyl)-3-(2-chloroethyl)-3-nitroso-Urea, 3-(1-adamantyl)-1-(2-chloroethyl)-1-nitroso-NSC 129968 (VAN)BRN 28795431-(1-Adamantyl)-3-(2-chloroethyl)-3-nitrosoureaNSC 129968NCIOpen2_005111CHEMBL12701
Show more names
Reaxys ID: 2879543
DTXSID20161324NSC86056Urea, N-(2-chloroethyl)-N-nitroso-N'-tricyclo(3.3.1.1(3,7))dec-1-yl-N'-(Adamantan-1-yl)-N-(2-chloroethyl)-N-nitrosourea
Database identifiers
- CAS
14039-10-2- PubChem CID
- 64168
- DTXSID
DTXSID20161324- ChEMBL
CHEMBL12701- Nikkaji
- J96.677K
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 347
Experimental & physicochemical properties
LogP3.56
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Related reactions
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Compound notes
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