Urea, 1-(2-chloroethyl)-3-cycloheptyl-
Basic information
- CAS
13908-27-5- Standard SMILES
O=C(NCCCl)NC1CCCCCC1- InChIKey
BKCHWJUBSGHNQU-UHFFFAOYSA-N- Molecular formula
- C10H19ClN2O
- Average molar mass
- 218.72 g/mol
- Monoisotopic mass
- 218.1185909
Names & identifiers
- Preferred name
- Urea, 1-(2-chloroethyl)-3-cycloheptyl-
- IUPAC
- 1-(2-chloroethyl)-3-cycloheptylurea
Names & synonyms
Urea, 1-(2-chloroethyl)-3-cycloheptyl-1-(2-Chloroethyl)-3-cycloheptyl urea13908-27-5NSC 81177BRN 2835168DTXSID90160889RefChem:387363DTXCID50833801-(2-chloroethyl)-3-cycloheptylureaN49JYY6V7NNSC-81177N-(2-Chloroethyl)-N'-cycloheptylurea
Show more names
NSC81177UNII-N49JYY6V7NUrea, N-(2-chloroethyl)-N'-cycloheptyl-
Database identifiers
- CAS
13908-27-5- PubChem CID
- 96587
- DTXSID
DTXSID90160889- UNII
- N49JYY6V7N
- Nikkaji
- J83.845D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 168
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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