[2-(thiophen-2-yl)phenyl]methanamine hydrochloride

• ChemBase ID: 91237
• Molecular Formular: C11H12ClNS
• Molecular Mass: 225.73768
• Monoisotopic Mass: 225.03789807
• SMILES: s1cccc1c1ccccc1CN.Cl
• Canonical SMILES: NCc1ccccc1c1cccs1.Cl
• InChI: InChI=1S/C11H11NS.ClH/c12-8-9-4-1-2-5-10(9)11-6-3-7-13-11;/h1-7H,8,12H2;1H
• InChIKey: XLJIHGHEJAGJJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(thiophen-2-yl)phenyl]methanamine hydrochloride
• IUPAC Traditional name: [2-(thiophen-2-yl)phenyl]methanamine hydrochloride
• Synonyms: [2-(Thien-2-yl)phenyl]methylamine hydrochloride; 2-[2-(Aminomethyl)phenyl]thiophene hydrochloride; 2-(Thien-2-yl)benzylamine hydrochloride 95%; 1-(2-thien-2-ylphenyl)methanamine hydrochloride

Database IDs

• CAS Number: 863991-95-1
• MDL Number: MFCD07772821
• PubChem SID: 162077941
• PubChem CID: 18525724

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.47649664
• LogD (pH = 7.4): 0.3524376
• Log P: 2.5233877
• Molar Refractivity: 56.5575 cm^3
• Polarizability: 23.37299 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 186.5-188.5°C

Safety Information

• Storage Warning: Toxic/Harmful/Air Sensitive/Store under Argon/Keep Cold

Product Information

• Purity: 95%