[1-(propan-2-yl)cyclopropyl]methanamine hydrochloride

• ChemBase ID: 143740
• Molecular Formular: C7H16ClN
• Molecular Mass: 149.66164
• Monoisotopic Mass: 149.0971272
• SMILES: CC(C)C1(CC1)CN.Cl
• Canonical SMILES: NCC1(CC1)C(C)C.Cl
• InChI: InChI=1S/C7H15N.ClH/c1-6(2)7(5-8)3-4-7;/h6H,3-5,8H2,1-2H3;1H
• InChIKey: GXOFVJYTKKLLKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(propan-2-yl)cyclopropyl]methanamine hydrochloride
• IUPAC Traditional name: (1-isopropylcyclopropyl)methanamine hydrochloride
• Synonyms: 1-(1-Isopropylcyclopropyl)methanamine hydrochloride; [1-(propan-2-yl)cyclopropyl]methanamine hydrochloride

Database IDs

• MDL Number: MFCD18071221
• PubChem SID: 162237957
• PubChem CID: 53398887

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.750042
• LogD (pH = 7.4): -1.1229038
• Log P: 1.264707
• Molar Refractivity: 35.4085 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 236 - 238°C
• Hydrophobicity(logP): 1.756

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C7H16ClN

DETAILS

Sigma Aldrich - CBR00873

Other Notes
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Legal Information
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