Basic information
- CAS
105384-13-2- Standard SMILES
CCCCCCCOc1ccccc1NC(=O)OC1CC[NH+](CCCC)CC1.[Cl-]- InChIKey
NQKRYXNAVXGWQI-UHFFFAOYSA-N- Molecular formula
- C23H39ClN2O3
- Average molar mass
- 427 g/mol
- Monoisotopic mass
- 426.2649208
Names & identifiers
- Preferred name
- Carbanilic acid, o-(heptyloxy)-, 1-butyl-4-piperidyl ester, hydrochloride
- IUPAC
- (1-butylpiperidin-1-ium-4-yl) N-(2-heptoxyphenyl)carbamate chloride
Names & synonyms
PAK 4427105384-13-2o-(Heptyloxy)carbanilic acid 1-butyl-4-piperidyl ester hydrochlorideCARBANILIC ACID, o-(HEPTYLOXY)-, 1-BUTYL-4-PIPERIDYL ESTER, HYDROCHLORIDECarbamic acid, (2-(heptyloxy)phenyl)-, 1-butyl-4-piperidinyl ester, monohydrochlorideRefChem:333092
Database identifiers
- CAS
105384-13-2- PubChem CID
- 59989
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…