(cyclopropylmethyl)(prop-2-yn-1-yl)amine hydrochloride

• ChemBase ID: 242847
• Molecular Formular: C7H12ClN
• Molecular Mass: 145.62988
• Monoisotopic Mass: 145.06582707
• SMILES: C(#C)CNCC1CC1.Cl
• Canonical SMILES: C#CCNCC1CC1.Cl
• InChI: InChI=1S/C7H11N.ClH/c1-2-5-8-6-7-3-4-7;/h1,7-8H,3-6H2;1H
• InChIKey: HOXAQSMENDCLQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclopropylmethyl)(prop-2-yn-1-yl)amine hydrochloride
• IUPAC Traditional name: (cyclopropylmethyl)(prop-2-yn-1-yl)amine hydrochloride
• Synonyms: (cyclopropylmethyl)(prop-2-yn-1-yl)amine hydrochloride

Database IDs

• MDL Number: MFCD22578526
• PubChem SID: 164298757
• PubChem CID: 71757093

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.343869
• LogD (pH = 7.4): -1.1848202
• Log P: 0.81578183
• Molar Refractivity: 34.2156 cm^3
• Polarizability: 13.338735 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.055

Product Information

• Purity: 95%