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880251-15-0

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Basic Information
CAS No.: 880251-15-0
Name: 1-(1-benzothien-7-yl)methanamine
Molecular Structure:
Molecular Structure of 880251-15-0 (1-(1-benzothien-7-yl)methanamine)
Formula: C9H9NS
Molecular Weight: 163.23946
Synonyms: 1-(1-benzothien-7-yl)methanamine;7-(Aminomethyl)benzo[b]thiophene;1-(1-Benzothien-7-yl)methylamine;7-(Aminomethyl)benzo[b]thiophene 97%;BENZO[B]THIEN-7-YLMETHYLAMINE;(1-Benzothien-7-yl)methylamine, 7-(Aminomethyl)-1-benzothiophene;(benzo[b]thiophen-7-yl)MethanaMine
Density: 1.227g/cm3
Boiling Point: 303.85 °C at 760 mmHg
Flash Point: 137.564 °C
Hazard Symbols: CorrosiveC
PSA: 54.26000
LogP: 3.06030
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Specification

The Benzo[b]thiophene-7-methanamine, with CAS registry number 880251-15-0, has the systematic name of 1-(1-benzothiophen-7-yl)methanamine. Besides this, it is also called 7-(Aminomethyl)benzo[b]thiophene. And the chemical formula of this chemical is C9H9NS.

Physical properties of Benzo[b]thiophene-7-methanamine: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 18; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.26 Å2; (13)Index of Refraction: 1.692; (14)Molar Refractivity: 50.931 cm3; (15)Molar Volume: 133.017 cm3; (16)Polarizability: 20.191×10-24cm3; (17)Surface Tension: 53.719 dyne/cm; (18)Density: 1.227 g/cm3; (19)Flash Point: 137.564 °C; (20)Enthalpy of Vaporization: 54.417 kJ/mol; (21)Boiling Point: 303.85 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NCc1cccc2ccsc12
(2)InChI: InChI=1/C9H9NS/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5H,6,10H2
(3)InChIKey: PRBCWMLRLHKHKE-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H9NS/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5H,6,10H2
(5)Std. InChIKey: PRBCWMLRLHKHKE-UHFFFAOYSA-N