bis(thiophen-2-ylmethyl)amine hydrochloride

• ChemBase ID: 295805
• Molecular Formular: C10H12ClNS2
• Molecular Mass: 245.79198
• Monoisotopic Mass: 245.00996907
• SMILES: c1cc(sc1)CNCc1cccs1.Cl
• Canonical SMILES: N(Cc1cccs1)Cc1cccs1.Cl
• InChI: InChI=1S/C10H11NS2.ClH/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10;/h1-6,11H,7-8H2;1H
• InChIKey: RTJOHEYKSNEPMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(thiophen-2-ylmethyl)amine hydrochloride
• IUPAC Traditional name: bis(thiophen-2-ylmethyl)amine hydrochloride
• Synonyms: Di-2-thenylamine hydrochloride; Bis(2-thiophenemethyl)amine hydrochloride; 双(2-噻吩)甲胺盐酸盐

Database IDs

• CAS Number: 336624-10-3
• MDL Number: MFCD01812493
• PubChem SID: 180681336
• PubChem CID: 24212013

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.39844048
• LogD (pH = 7.4): 2.1119902
• Log P: 3.0818305
• Molar Refractivity: 57.6984 cm^3
• Polarizability: 22.427538 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca 243°C dec.

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99%