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157664-47-6

Basic Information
CAS No.: 157664-47-6
Name: (2-BROMO-3-THIENYL)METHYLAMINE HYDROCHLORIDE
Molecular Structure:
Molecular Structure of 157664-47-6 ((2-BROMO-3-THIENYL)METHYLAMINE HYDROCHLORIDE)
Formula: C5H6BrNS
Molecular Weight: 192.079
Synonyms: 3-Aminomethyl-2-bromothiophene;
Density: 1.669 g/cm3
Melting Point: 199 °C
Boiling Point: 244.7 °C at 760 mmHg
Flash Point: 101.8 °C
Hazard Symbols: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R34:Causes burns.;
Risk Codes:  C:Corrosive;
">  C:Corrosive;
Safety: 26-36/37/39-45
PSA: 54.26000
LogP: 3.47160
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Specification

The 3-Thiophenemethanamine,2-bromo-, with the CAS registry number 157664-47-6, is also known as 2-Bromo-3-thiophenemethanamine. This chemical's molecular formula is C5H6BrNS and molecular weight is 192.08. What's more, its systematic name is called 1-(2-Bromothiophen-3-yl)methanamine.

Physical properties about 3-Thiophenemethanamine,2-bromo- are: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.44; (4)ACD/LogD (pH 7.4): -0.51; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.35; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 31.48 Å2; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 40.77 cm3; (15)Molar Volume: 115 cm3; (16)Surface Tension: 50.4 dyne/cm; (17)Density: 1.669 g/cm3; (18)Flash Point: 101.8 °C; (19)Enthalpy of Vaporization: 48.17 kJ/mol; (20)Boiling Point: 244.7 °C at 760 mmHg; (21)Vapour Pressure: 0.03 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1sccc1CN
(2) InChI: InChI=1/C5H6BrNS/c6-5-4(3-7)1-2-8-5/h1-2H,3,7H2
(3) InChIKey: SLKZUJBSIKGHFU-UHFFFAOYAT