Basic information
- CAS
65720-13-0- Standard SMILES
CCCCCCCOc1ccccc1NC(=O)OCCC[NH+]1CCCCC1.[Cl-]- InChIKey
DLDUCSLQPALAPZ-UHFFFAOYSA-N- Molecular formula
- C22H37ClN2O3
- Average molar mass
- 413 g/mol
- Monoisotopic mass
- 412.2492707
Names & identifiers
- Preferred name
- Carbanilic acid, o-(heptyloxy)-, 3-piperidinopropyl ester, hydrochloride
- IUPAC
- 3-piperidin-1-ium-1-ylpropyl N-(2-heptoxyphenyl)carbamate chloride
Names & synonyms
BK-53o-(Heptyloxy)carbanilic acid 3-piperidinopropyl ester hydrochlorideCarbamic acid, (2-(heptyloxy)phenyl)-, 3-(1-piperidinyl)propyl ester, hydrochlorideCARBANILIC ACID, o-(HEPTYLOXY)-, 3-PIPERIDINOPROPYL ESTER, HYDROCHLORIDE65720-13-0RefChem:333101
Database identifiers
- CAS
65720-13-0- PubChem CID
- 47707
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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