(1R)-1-phenylpentan-1-amine hydrochloride

• ChemBase ID: 248676
• Molecular Formular: C11H18ClN
• Molecular Mass: 199.72032
• Monoisotopic Mass: 199.11277726
• SMILES: c1([C@H](N)CCCC)ccccc1.Cl
• Canonical SMILES: CCCC[C@H](c1ccccc1)N.Cl
• InChI: InChI=1S/C11H17N.ClH/c1-2-3-9-11(12)10-7-5-4-6-8-10;/h4-8,11H,2-3,9,12H2,1H3;1H/t11-;/m1./s1
• InChIKey: MBNNSARPWZWWBT-RFVHGSKJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-phenylpentan-1-amine hydrochloride
• IUPAC Traditional name: (1R)-1-phenylpentan-1-amine hydrochloride
• Synonyms: (1R)-1-phenylpentan-1-amine hydrochloride

Database IDs

• PubChem SID: 164304586
• PubChem CID: 71758560

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.0811871
• LogD (pH = 7.4): 0.6442738
• Log P: 2.927249
• Molar Refractivity: 52.6762 cm^3
• Polarizability: 21.137398 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.99

Product Information

• Purity: 95%