1-(4-methylphenyl)cyclopropan-1-amine hydrochloride

• ChemBase ID: 143938
• Molecular Formular: C10H14ClN
• Molecular Mass: 183.67786
• Monoisotopic Mass: 183.08147713
• SMILES: Cc1ccc(cc1)C1(CC1)N.Cl
• Canonical SMILES: NC1(CC1)c1ccc(cc1)C.Cl
• InChI: InChI=1S/C10H13N.ClH/c1-8-2-4-9(5-3-8)10(11)6-7-10;/h2-5H,6-7,11H2,1H3;1H
• InChIKey: ZMRUXYGZNOWNHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methylphenyl)cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 1-(4-methylphenyl)cyclopropan-1-amine hydrochloride
• Synonyms: 1-(4-Methylphenyl)cyclopropanamine hydrochloride; 1-p-Tolyl-cyclopropylamine hydrochloride

Database IDs

• CAS Number: 1134834-95-9
• MDL Number: MFCD07995725
• PubChem SID: 162238155
• PubChem CID: 24206581

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.998378
• LogD (pH = 7.4): -0.17224844
• Log P: 2.0017688
• Molar Refractivity: 46.6734 cm^3
• Polarizability: 18.461222 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 96%
• Empirical Formula (Hill Notation): C10H14ClN

DETAILS

Sigma Aldrich - CBR00914

Other Notes
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