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| Name |
tert-Butyl 2-(aminomethyl)-3,4-dihydroquinoline-1(2H)-carboxylate |
EINECS | N/A |
| CAS No. | 811842-15-6 | Density | 1.096 g/cm3 |
| PSA | 55.56000 | LogP | 3.46690 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C15H23ClN2O | Boiling Point | 376.5 °C at 760 mmHg |
| Molecular Weight | 298.80832 | Flash Point | 181.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Aminomethyl-1-N-Boc-1,2,3,4-Tetrahydroquinoline;1(2H)-Quinolinecarboxylic acid, 2-(aminomethyl)-3,4-dihydro-, 1,1-dimethylethyl ester;2-Aminomethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid tert-butyl ester; |
tert-Butyl 2-(aminomethyl)-3,4-dihydroquinoline-1(2H)-carboxylate Specification
The CAS register number of tert-Butyl 2-(aminomethyl)-3,4-dihydroquinoline-1(2H)-carboxylate is 811842-15-6. It also can be called as 1(2H)-Quinolinecarboxylic acid, 2-(aminomethyl)-3,4-dihydro-, 1,1-dimethylethyl ester and the systematic name about this chemical is tert-butyl 2-(aminomethyl)-3,4-dihydroquinoline-1(2H)-carboxylate. The molecular formula about this chemical is C15H23ClN2O and molecular weight is 298.80832.
Physical properties about tert-Butyl 2-(aminomethyl)-3,4-dihydroquinoline-1(2H)-carboxylate are: (1)ACD/LogP: 3.14; (2)ACD/LogD (pH 5.5): 0.09; (3)ACD/LogD (pH 7.4): 1.03; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.12; (6)ACD/KOC (pH 5.5): 1.08; (7)ACD/KOC (pH 7.4): 9.53; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 32.78Å2; (12)Index of Refraction: 1.539; (13)Molar Refractivity: 75.03 cm3; (14)Molar Volume: 239.2 cm3; (15)Polarizability: 29.74x10-24cm3; (16)Surface Tension: 41.9 dyne/cm; (17)Enthalpy of Vaporization: 62.41 kJ/mol; (18)Boiling Point: 376.5 °C at 760 mmHg; (19)Vapour Pressure: 7.23E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N2c1ccccc1CCC2CN
(2)InChI: InChI=1/C15H22N2O2/c1-15(2,3)19-14(18)17-12(10-16)9-8-11-6-4-5-7-13(11)17/h4-7,12H,8-10,16H2,1-3H3
(3)InChIKey: KWPOCVIPRLCCHW-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-12(10-16)9-8-11-6-4-5-7-13(11)17/h4-7,12H,8-10,16H2,1-3H3
(5)Std. InChIKey: KWPOCVIPRLCCHW-UHFFFAOYSA-N
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