3-Methyl-7-azaindole supplier

Name
3-METHYL-7-AZAINDOLE
EINECS
CAS No. 5654-93-3
Article Data13
CAS DataBase
Density 1.187g/cm³
Solubility
Melting Point 130.5-133 °C
Formula C₈H₈N₂
Boiling Point 284.967 °C at 760 mmHg
Molecular Weight 132.16
Flash Point 127.264 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-methyl-1H-pyrrolo[2,3-b]pyridine;
PSA 28.68000
LogP 1.87130

3-Methyl-7-azaindole Specification

The 3-Methyl-7-azaindole with cas registry number of 5654-93-3, has the systematic name of 3-methyl-1H-pyrrolo[2,3-b]pyridine. And it is also named 3-methyl-1H-pyrrolo[2,3-b]pyridine.

Physical properties about this chemical are: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 17; (6)ACD/BCF (pH 7.4): 31; (7)ACD/KOC (pH 5.5): 223; (8)ACD/KOC (pH 7.4): 410; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.68 Å²; (13)Index of Refraction: 1.667; (14)Molar Refractivity: 41.445 cm³; (15)Molar Volume: 111.371 cm³; (16)Polarizability: 16.43×10^-24cm³; (17)Surface Tension: 54.431 dyne/cm; (18)Enthalpy of Vaporization: 50.295 kJ/mol; (19)Vapour Pressure: 0.005 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1cccc2c1ncc2C;
(2)InChI: InChI=1/C8H8N2/c1-6-5-10-8-7(6)3-2-4-9-8/h2-5H,1H3,(H,9,10);
(3)InChIKey: PKZDPOGLGBWEGP-UHFFFAOYAE;
(4)Std. InChI: InChI=1S/C8H8N2/c1-6-5-10-8-7(6)3-2-4-9-8/h2-5H,1H3,(H,9,10);
(5)Std. InChIKey: PKZDPOGLGBWEGP-UHFFFAOYSA-N

Product Name

3-METHYL-7-AZAINDOLE

3-Methyl-7-azaindole Specification

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