Basic information
- CAS
33021-98-6- Standard SMILES
O=NN(CCCl)C(=O)NC1C2CC3CC(C2)CC1C3- InChIKey
DZYZMLMCSKKNSA-UHFFFAOYSA-N- Molecular formula
- C13H20ClN3O2
- Average molar mass
- 285.77 g/mol
- Monoisotopic mass
- 285.1244046
Names & identifiers
- Preferred name
- Urea, 3-(2-adamantyl)-1-(2-chloroethyl)-1-nitroso-
- IUPAC
- 3-(2-adamantyl)-1-(2-chloroethyl)-1-nitrosourea
Names & synonyms
Urea, 3-(2-adamantyl)-1-(2-chloroethyl)-1-nitroso-3-(2-Adamantyl)-1-(2-chloroethyl)-1-nitrosoureaBRN 2152538NSC 129,96833021-98-6AI3-529001-(2-Chloroethyl)-1-nitroso-3-tricyclohexylureaDTXSID60186672Urea, N-(2-chloroethyl)-N-nitroso-N'-tricyclo(3.3.1.1(sup 3,7))dec-2-yl-Urea, N-(2-chloroethyl)-N-nitroso-N'-tricyclo(3.3.1(3,7))dec-2-yl-Urea, N-(2-chloroethyl)-N-nitroso-N'-tricyclo(3.3.1.13,7)dec-2-yl-RefChem:387649
Show more names
DTXCID00109163Urea, N-(2-chloroethyl)-N-nitroso-N'-tricyclo(3.3.1.1(sup 3,7))dec-2-yl-(9CI)Urea, N-(2-chloroethyl)-N-nitroso-N'-tricyclo(3.3.1.13,7)dec-2-yl-(9CI)NSC129968NSC-129968CHEMBL12424N'-(Adamantan-2-yl)-N-(2-chloroethyl)-N-nitrosourea
Database identifiers
- CAS
33021-98-6- PubChem CID
- 64290
- DTXSID
DTXSID60186672- ChEMBL
CHEMBL12424- Nikkaji
- J54.235K
Properties
Computed structural properties
- XLogP
- 3.3
- 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
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…