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CAS No.: | 164148-92-9 |
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Name: | 6-AMINO-2-N-BOC-1,2,3,4-TETRAHYDRO-ISOQUINOLINE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C14H20N2O2 |
Molecular Weight: | 248.325 |
Synonyms: | 6-Amino-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester; |
Density: | 1.145 g/cm3 |
Boiling Point: | 394.7 °C at 760 mmHg |
Flash Point: | 192.5 °C |
Hazard Symbols: | R36/37/38:; |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 55.56000 |
LogP: | 3.08110 |
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This chemical is called 6-Amino-2-N-Boc-1,2,3,4-tetrahydroisoquinoline, and its systematic name is tert-butyl 6-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate. With the molecular formula of C14H20N2O2, its molecular weight is 248.32. The CAS registry number of this chemical is 164148-92-9. Additionally, its product category is Pharmacetical.
Other characteristics of the chemical can be summarised as followings: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.64; (4)ACD/LogD (pH 7.4): 1.66; (5)ACD/BCF (pH 5.5): 10.23; (6)ACD/BCF (pH 7.4): 10.77; (7)ACD/KOC (pH 5.5): 181.22; (8)ACD/KOC (pH 7.4): 190.78; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 71.04 cm3; (15)Molar Volume: 216.7 cm3; (16)Polarizability: 28.16×10-24cm3; (17)Surface Tension: 47.4 dyne/cm; (18)Density: 1.145 g/cm3; (19)Flash Point: 192.5 °C; (20)Enthalpy of Vaporization: 64.48 kJ/mol; (21)Boiling Point: 394.7 °C at 760 mmHg; (22)Vapour Pressure: 1.94E-06 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. As it's flammable, keep it away from the sources of ignition.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC(C)(C)C)N2Cc1c(cc(cc1)N)CC2
2.InChI: InChI=1/C14H20N2O2/c1-14(2,3)18-13(17)16-7-6-10-8-12(15)5-4-11(10)9-16/h4-5,8H,6-7,9,15H2,1-3H3
3.InChIKey: OLOIFCYZWOTWRO-UHFFFAOYAQ