Basic information
- CAS
764598-01-8- Standard SMILES
C[N+](C)(C)CCCNC(=O)Nc1ccc(Cl)cc1- InChIKey
AQWIIOQXTFGOOP-UHFFFAOYSA-O- Molecular formula
- C13H21ClN3O+
- Average molar mass
- 270.78 g/mol
- Monoisotopic mass
- 270.137315
Names & identifiers
- Preferred name
- HR5W5Xvc2K
- IUPAC
- 3-[(4-chlorophenyl)carbamoylamino]propyl-trimethylazanium
Names & synonyms
HR5W5XVC2K3-[[[(4-Chlorophenyl)amino]carbonyl]amino]-N,N,N-trimethyl-1-propanaminium1-Propanaminium, 3-[[[(4-chlorophenyl)amino]carbonyl]amino]-N,N,N-trimethyl-764598-01-8
Database identifiers
- CAS
764598-01-8- PubChem CID
- 52008
- UNII
- HR5W5XVC2K
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 1
- Complexity
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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