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116650-33-0

Basic Information
CAS No.: 116650-33-0
Name: 1H-Carbazol-3-amine,2,3,4,9-tetrahydro-, (3R)-
Molecular Structure:
Molecular Structure of 116650-33-0 (1H-Carbazol-3-amine,2,3,4,9-tetrahydro-, (3R)-)
Formula: C12H14N2
Molecular Weight: 186.25
Synonyms: 1H-Carbazol-3-amine,2,3,4,9-tetrahydro-, (R)-;(R)-1,2,3,4-Tetrahydrocarbazol-3-amine;(R)-3-Amino-1,2,3,4-tetrahydrocarbazole;
EINECS:
Density: 1.192 g/cm3
Melting Point:
Boiling Point: 362.512 °C at 760 mmHg
Flash Point: 200.5 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 41.81000
LogP: 2.68420
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116649-85-5
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Specification

The (R)-3-amino-1,2,3,4-terahydrocarbazole, with the CAS registry number 116650-33-0, has the systematic name of 2,3,4,9-tetrahydro-1H-carbazol-3-amine. And it is also called1H-carbazol-3-amine, 2,3,4,9-tetrahydro-. The molecular formula of the chemical is C12H14N2.

The characteristics of (R)-3-amino-1,2,3,4-terahydrocarbazole are as followings: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (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): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 41.81 Å2; (11)Index of Refraction: 1.677; (12)Molar Refractivity: 58.868 cm3; (13)Molar Volume: 156.272 cm3; (14)Polarizability: 23.337×10-24cm3; (15)Surface Tension: 55.653 dyne/cm; (16)Density: 1.192 g/cm3; (17)Flash Point: 200.5 °C; (18)Enthalpy of Vaporization: 60.847 kJ/mol; (19)Boiling Point: 362.512 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: NC2CCc3nc1ccccc1c3C2
(2)InChI: InChI=1/C12H14N2/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-4,8,14H,5-7,13H2
(3)InChIKey: UFRCIKMHUAOIAT-UHFFFAOYAD