cyclohex-1-en-1-ylmethanamine hydrochloride

• ChemBase ID: 143675
• Molecular Formular: C7H14ClN
• Molecular Mass: 147.64576
• Monoisotopic Mass: 147.08147713
• SMILES: C1CCC(=CC1)CN.Cl
• Canonical SMILES: NCC1=CCCCC1.Cl
• InChI: InChI=1S/C7H13N.ClH/c8-6-7-4-2-1-3-5-7;/h4H,1-3,5-6,8H2;1H
• InChIKey: PBPGOPRTFZOAES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohex-1-en-1-ylmethanamine hydrochloride
• IUPAC Traditional name: cyclohex-1-en-1-ylmethanamine hydrochloride
• Synonyms: (Cyclohex-1-en-1-ylmethyl)amine hydrochloride

Database IDs

• MDL Number: MFCD13186235
• PubChem SID: 162237892
• PubChem CID: 53398883

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.8400213
• LogD (pH = 7.4): -1.0255653
• Log P: 1.1611986
• Molar Refractivity: 36.4368 cm^3
• Polarizability: 14.213848 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C7H14ClN

DETAILS

Sigma Aldrich - CBR00863

Other Notes
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Legal Information
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