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887581-34-2

Basic Information
CAS No.: 887581-34-2
Name: 1H-Indole-3-methanamine,6-bromo-
Molecular Structure:
Molecular Structure of 887581-34-2 (1H-Indole-3-methanamine,6-bromo-)
Formula: C9H9BrN2
Molecular Weight: 225.09
Synonyms: 6-BROMO-1H-INDOL-3-METHYLAMINE;(6-Bromo-indol-3-yl)methanamine;(6-BroMo-1H-indol-3-yl)MethanaMine
EINECS:
Density: 1.631 g/cm3
Melting Point:
Boiling Point: 391.31 °C at 760 mmHg
Flash Point: 190.458 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 41.81000
LogP: 3.08940
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Specification

The 1H-Indole-3-methanamine,6-bromo- is an organic compound with the formula C9H9BrN2. The systematic name of this chemical is (6-bromo-1H-indol-3-yl)methanamine. With the CAS registry number 887581-34-2, it is also named as (6-Bromo-indol-3-yl)methanamine.

Physical properties about 1H-Indole-3-methanamine,6-bromo- are: (1)ACD/LogP: 2.44; (2)ACD/LogD (pH 7.4): 0.44; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 5.059; (7)#H bond acceptors: 2; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 41.81 Å2; (11)Index of Refraction: 1.723; (12)Molar Refractivity: 54.67 cm3; (13)Molar Volume: 138.044 cm3; (14)Polarizability: 21.673×10-24cm3; (15)Surface Tension: 61.802 dyne/cm; (16)Density: 1.631 g/cm3; (17)Flash Point: 190.458 °C; (18)Enthalpy of Vaporization: 64.09 kJ/mol; (19)Boiling Point: 391.31 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Br)[nH]cc2CN
(2)InChI: InChI=1/C9H9BrN2/c10-7-1-2-8-6(4-11)5-12-9(8)3-7/h1-3,5,12H,4,11H2
(3)InChIKey: PNOJIHUEWHBLFW-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C9H9BrN2/c10-7-1-2-8-6(4-11)5-12-9(8)3-7/h1-3,5,12H,4,11H2
(5)Std. InChIKey: PNOJIHUEWHBLFW-UHFFFAOYSA-N