(2,4,6-trimethylphenyl)methanamine hydrochloride

• ChemBase ID: 265653
• Molecular Formular: C10H16ClN
• Molecular Mass: 185.69374
• Monoisotopic Mass: 185.0971272
• SMILES: c1(c(cc(cc1C)C)C)CN.Cl
• Canonical SMILES: NCc1c(C)cc(cc1C)C.Cl
• InChI: InChI=1S/C10H15N.ClH/c1-7-4-8(2)10(6-11)9(3)5-7;/h4-5H,6,11H2,1-3H3;1H
• InChIKey: ROPQBWYHCOHVAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,4,6-trimethylphenyl)methanamine hydrochloride
• IUPAC Traditional name: (2,4,6-trimethylphenyl)methanamine hydrochloride
• Synonyms: (2,4,6-trimethylphenyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD10485373
• PubChem SID: 164321563
• PubChem CID: 458432

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.35545403
• LogD (pH = 7.4): 0.524778
• Log P: 2.6392784
• Molar Refractivity: 49.655 cm^3
• Polarizability: 19.044518 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 337 - 339°C
• Hydrophobicity(logP): 2.491

Product Information

• Purity: 95%