(2-bromothiophen-3-yl)methanamine hydrochloride

• ChemBase ID: 91885
• Molecular Formular: C5H7BrClNS
• Molecular Mass: 228.53778
• Monoisotopic Mass: 226.91710991
• SMILES: s1ccc(c1Br)CN.Cl
• Canonical SMILES: NCc1ccsc1Br.Cl
• InChI: InChI=1S/C5H6BrNS.ClH/c6-5-4(3-7)1-2-8-5;/h1-2H,3,7H2;1H
• InChIKey: RPJGSRWWVZLZBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-bromothiophen-3-yl)methanamine hydrochloride
• IUPAC Traditional name: (2-bromothiophen-3-yl)methanamine hydrochloride
• Synonyms: (2-Bromothien-3-yl)methylamine hydrochloride; 3-(Aminomethyl)-2-bromothiophene hydrochloride 97%; (2-bromo-3-thienyl)methylamine hydrochloride

Database IDs

• CAS Number: 157664-47-6
• MDL Number: MFCD04971979
• PubChem SID: 162078583
• PubChem CID: 2800730

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0680966
• LogD (pH = 7.4): 0.29977408
• Log P: 1.8142048
• Molar Refractivity: 38.4199 cm^3
• Polarizability: 15.275476 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 199-202°C
• Boiling Point: 70°C/0.01mm

Safety Information

• Storage Warning: Corrosive/Harmful/Moisture Sensitive/Keep Cold/Store under Argon

Product Information

• Purity: 97%