(cyclopropylmethyl)(propan-2-yl)amine hydrochloride

• ChemBase ID: 32184
• Molecular Formular: C7H16ClN
• Molecular Mass: 149.66164
• Monoisotopic Mass: 149.0971272
• SMILES: C1(CC1)CNC(C)C.Cl
• Canonical SMILES: CC(NCC1CC1)C.Cl
• InChI: InChI=1S/C7H15N.ClH/c1-6(2)8-5-7-3-4-7;/h6-8H,3-5H2,1-2H3;1H
• InChIKey: MRPNOHAMZXPTMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclopropylmethyl)(propan-2-yl)amine hydrochloride
• IUPAC Traditional name: (cyclopropylmethyl)(isopropyl)amine hydrochloride
• Synonyms: N-(Cyclopropylmethyl)-2-propanamine hydrochloride; N-(cyclopropylmethyl)-N-isopropylamine hydrochloride

Database IDs

• MDL Number: MFCD11099506
• PubChem SID: 160995491
• PubChem CID: 25049772

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.8766466
• LogD (pH = 7.4): -1.6283877
• Log P: 1.3610818
• Molar Refractivity: 35.8028 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.293

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%