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| CAS No.: | 5632-13-3 |
|---|---|
| Name: | 4-Aminomethylquinoline hydrochloride |
| Article Data: | 15 |
| Molecular Structure: | |
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| Formula: | C10H10N2 |
| Molecular Weight: | 158.203 |
| Synonyms: | Quinoline,4-(aminomethyl)- (8CI);1-(Quinolin-4-yl)methanamine;Quinolin-4-ylmethanamine;[(Quinolin-4-yl)methyl]amine;α-Aminolepidine; |
| Density: | 1.157 g/cm3 |
| Boiling Point: | 319.958 °C at 760 mmHg |
| Flash Point: | 173.268 °C |
| Hazard Symbols: | T |
| Risk Codes: | 25 |
| Safety: | 45 |
| PSA: | 38.91000 |
| LogP: | 2.39380 |
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Specification
The 4-Aminomethylquinoline hydrochloride, with the CAS registry number 5632-13-3, is also known as Quinolin-4-ylmethanamine. This chemical's molecular formula is C10H10N2 and molecular weight is 158.20. What's more, its systematic name is 1-(quinolin-4-yl)methanamine.
Physical properties of 4-Aminomethylquinoline hydrochloride are: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 13; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 38.91 Å2; (12)Index of Refraction: 1.663; (13)Molar Refractivity: 50.638 cm3; (14)Molar Volume: 136.761 cm3; (15)Polarizability: 20.075×10-24cm3; (16)Surface Tension: 54.215 dyne/cm; (17)Density: 1.157 g/cm3; (18)Flash Point: 173.268 °C; (19)Enthalpy of Vaporization: 56.159 kJ/mol; (20)Boiling Point: 319.958 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: NCc1ccnc2ccccc12
(2)Std. InChI: InChI=1S/C10H10N2/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-6H,7,11H2
(3)Std. InChIKey: BVQGQPVMVBOTID-UHFFFAOYSA-N