ethyl(prop-2-en-1-yl)amine hydrochloride

• ChemBase ID: 262708
• Molecular Formular: C5H12ClN
• Molecular Mass: 121.60848
• Monoisotopic Mass: 121.06582707
• SMILES: C(=C)CNCC.Cl
• Canonical SMILES: CCNCC=C.Cl
• InChI: InChI=1S/C5H11N.ClH/c1-3-5-6-4-2;/h3,6H,1,4-5H2,2H3;1H
• InChIKey: GBYPJILXPFIYJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(prop-2-en-1-yl)amine hydrochloride
• IUPAC Traditional name: allylethylamine hydrochloride
• Synonyms: ethyl(prop-2-en-1-yl)amine hydrochloride

Database IDs

• MDL Number: MFCD14705575
• PubChem SID: 164318618
• PubChem CID: 20193693

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.3151808
• LogD (pH = 7.4): -1.5025591
• Log P: 0.89517933
• Molar Refractivity: 28.6047 cm^3
• Polarizability: 11.2655945 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.785

Product Information

• Purity: 95%