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| CAS No.: | 85696-95-3 |
|---|---|
| Name: | 1H-Indol-4-amine,1-methyl- |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C9H10N2 |
| Molecular Weight: | 146.192 |
| Synonyms: | 1-Methyl-1H-indol-4-amine;1-Methyl-4-aminoindole;4-Amino-1-methylindole; |
| Density: | 1.151 g/cm3 |
| Boiling Point: | 328.036 °C at 760 mmHg |
| Flash Point: | 152.191 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 30.95000 |
| LogP: | 2.34170 |
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- Total:21 Page 1 of 1 1
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Specification
The 4-Amino-N-methylindole with CAS registry number of 85696-95-3 is also known as 1H-Indol-4-amine, 1-methyl-. It belongs to product categories of Indole. The systematic name is 1-Methyl-1H-indol-4-aminato. In addition, the formula is C9H10N2 and the molecular weight is 146.19.
Physical properties about this chemical are: (1)ACD/LogP: 1.44; (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): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 115; (8)ACD/KOC (pH 7.4): 130; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 30.95Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 44.606 cm3; (15)Molar Volume: 126.97 cm3; (16)Polarizability: 17.683×10-24cm3; (17)Surface Tension: 43.46 dyne/cm; (18)Density: 1.151 g/cm3; (19)Flash Point: 152.191 °C; (20)Enthalpy of Vaporization: 57.039 kJ/mol; (21)Boiling Point: 328.036 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES:Nc2cccc1c2ccn1C;
(2)InChI:InChI=1/C9H10N2/c1-11-6-5-7-8(10)3-2-4-9(7)11/h2-6H,10H2,1H3;
(3)InChIKey:ODOJPFQQFJVNMD-UHFFFAOYAK;
(4)Std. InChI:InChI=1S/C9H10N2/c1-11-6-5-7-8(10)3-2-4-9(7)11/h2-6H,10H2,1H3;
(5)Std. InChIKey:ODOJPFQQFJVNMD-UHFFFAOYSA-N.