ethyl 6-aminohexanoate hydrochloride

• ChemBase ID: 294908
• Molecular Formular: C8H18ClNO2
• Molecular Mass: 195.68702
• Monoisotopic Mass: 195.1026065
• SMILES: O=C(OCC)CCCCCN.Cl
• Canonical SMILES: NCCCCCC(=O)OCC.Cl
• InChI: InChI=1S/C8H17NO2.ClH/c1-2-11-8(10)6-4-3-5-7-9;/h2-7,9H2,1H3;1H
• InChIKey: MMSVBKQTXSDWQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 6-aminohexanoate hydrochloride
• IUPAC Traditional name: ethyl 6-aminohexanoate hydrochloride
• Synonyms: Ethyl 6-aminohexanoate hydrochloride

Database IDs

• CAS Number: 3633-17-8
• PubChem SID: 180680439
• PubChem CID: 458476

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2539504
• LogD (pH = 7.4): -1.8341701
• Log P: 0.7700377
• Molar Refractivity: 44.1775 cm^3
• Polarizability: 17.757055 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%