Basic information
- CAS
67196-00-3- Standard SMILES
CCCCCCC(C)[NH2+]CCOC(=O)Nc1ccccc1.[Cl-]- InChIKey
ZINRTEHIUIBFSI-UHFFFAOYSA-N- Molecular formula
- C17H29ClN2O2
- Average molar mass
- 328.9 g/mol
- Monoisotopic mass
- 328.1917559
Names & identifiers
- Preferred name
- Carbanilic acid, 2-((1-methylheptyl)amino)ethyl ester, hydrochloride
- IUPAC
- octan-2-yl-[2-(phenylcarbamoyloxy)ethyl]azanium chloride
Names & synonyms
67196-00-3CARBANILIC ACID, 2-((1-METHYLHEPTYL)AMINO)ETHYL ESTER, HYDROCHLORIDERefChem:10810592-((1-Methylheptyl)amino)ethyl carbanilate hydrochlorideNSC 121087
Database identifiers
- CAS
67196-00-3- PubChem CID
- 49525
Properties
Computed structural properties
- Topological polar surface area
- 54.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 266
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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