Basic Information | Post buying leads | Suppliers |
Name |
Benzo[b]thiophene-7-methanamine |
EINECS | N/A |
CAS No. | 880251-15-0 | Density | 1.227g/cm3 |
PSA | 54.26000 | LogP | 3.06030 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H9NS | Boiling Point | 303.85 °C at 760 mmHg |
Molecular Weight | 163.23946 | Flash Point | 137.564 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | C | |
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 |
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