1-phenylbutan-1-amine hydrochloride

• ChemBase ID: 144064
• Molecular Formular: C10H16ClN
• Molecular Mass: 185.69374
• Monoisotopic Mass: 185.0971272
• SMILES: CCCC(c1ccccc1)N.Cl
• Canonical SMILES: CCCC(c1ccccc1)N.Cl
• InChI: InChI=1S/C10H15N.ClH/c1-2-6-10(11)9-7-4-3-5-8-9;/h3-5,7-8,10H,2,6,11H2,1H3;1H
• InChIKey: SRLJBKBDJRRHGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenylbutan-1-amine hydrochloride
• IUPAC Traditional name: 1-phenylbutan-1-amine hydrochloride
• Synonyms: (1-Phenylbutyl)amine hydrochloride

Database IDs

• MDL Number: MFCD11041010
• PubChem SID: 162238281
• PubChem CID: 45595804

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5257722
• LogD (pH = 7.4): 0.19946115
• Log P: 2.4826803
• Molar Refractivity: 48.0752 cm^3
• Polarizability: 19.290504 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C10H16ClN

DETAILS

Sigma Aldrich - CBR00785

Other Notes
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Legal Information
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