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1H-Indol-5-amine,4-methyl- (196205-06-8)

Identification
Name:1H-Indol-5-amine,4-methyl-
Synonyms:4-Methyl-1H-indol-5-amine;5-Amino-4-methylindole;
CAS:196205-06-8
Molecular Formula: C9H10N2
Molecular Weight: 146.19
InChI: InChI=1/C9H10N2/c1-6-7-4-5-11-9(7)3-2-8(6)10/h2-5,11H,10H2,1H3
Molecular Structure: (C9H10N2) 4-Methyl-1H-indol-5-amine;5-Amino-4-methylindole;
Properties
Density:1.214g/cm3
Refractive index:1.72
Specification:

The 4-Methyl-5-aminoindole with cas registry number of 196205-06-8, belongs to the following product categorie: AMINEPRIMARY. Its systematic name and IUPAC name are the same, which is 4-methyl-1H-indol-5-amine.

Physical properties about this chemical are: (1)ACD/LogP: 0.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 85; (8)ACD/KOC (pH 7.4): 102; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.81 Å2; (13)Index of Refraction: 1.72; (14)Molar Refractivity: 47.59 cm3; (15)Molar Volume: 120.427 cm3; (16)Polarizability: 18.866×10-24cm3; (17)Surface Tension: 59.303 dyne/cm; (18)Enthalpy of Vaporization: 59.739 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: Cc1c(N)ccc2nccc12;
(2)InChI: InChI=1/C9H10N2/c1-6-7-4-5-11-9(7)3-2-8(6)10/h2-5,11H,10H2,1H3;
(3)InChIKey: LLUMZCODEQVYRF-UHFFFAOYAQ;
(4)Std. InChI: InChI=1S/C9H10N2/c1-6-7-4-5-11-9(7)3-2-8(6)10/h2-5,11H,10H2,1H3;
(5)Std. InChIKey: LLUMZCODEQVYRF-UHFFFAOYSA-N

Safety Data
 

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