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6-Amino-2-N-Boc-1,2,3,4-tetrahydroisoquinoline

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Name

6-Amino-2-N-Boc-1,2,3,4-tetrahydroisoquinoline

EINECS N/A
CAS No. 164148-92-9 Density 1.145 g/cm3
PSA 55.56000 LogP 3.08110
Solubility N/A Melting Point N/A
Formula C14H20N2O2 Boiling Point 394.7 °C at 760 mmHg
Molecular Weight 248.325 Flash Point 192.5 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 164148-92-9 (6-AMINO-2-N-BOC-1,2,3,4-TETRAHYDRO-ISOQUINOLINE) Hazard Symbols R36/37/38:;
Synonyms

6-Amino-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester;

Article Data 10

6-Amino-2-N-Boc-1,2,3,4-tetrahydroisoquinoline Specification

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

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