| Identification | |
| Name: | 2(1H)-Isoquinolinecarboxylicacid, 5-amino-3,4-dihydro-, 1,1-dimethylethyl ester |
| Synonyms: | 5-Amino-2-(tert-butyloxycarbonyl)-1,2,3,4-tetrahydroisoquinoline;5-Amino-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester;tert-Butyl 5-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate |
| CAS: | 201150-73-4 |
| Molecular Formula: | C14H20 N2 O2 |
| Molecular Weight: | 248.32 |
| InChI: | InChI=1/C14H20N2O2/c1-14(2,3)18-13(17)16-8-7-11-10(9-16)5-4-6-12(11)15/h4-6H,7-9,15H2,1-3H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.145 g/cm3 |
| Refractive index: | 1.569 |
| Specification: |
The IUPAC name of 5-Amino-2-tert-butoxycarbonyl-1,2,3,4-tetrahydroisoquinoline is tert-butyl 5-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate . With the CAS registry number 201150-73-4, it is also named as 2(1H)-isoquinolinecarboxylic acid, 5-amino-3,4-dihydro-, 1,1-dimethylethyl ester ; 2-Boc-1,2,3,4-tetrahydroisoquinolin-5-amine . It is used as pharmaceutical intermediates. The other characteristics of this product can be summarized as: (1)ACD/BCF (pH 5.5): 10.48 ; (2)ACD/BCF (pH 7.4): 10.78 ; (3)ACD/KOC (pH 5.5): 185.56 ; (4)ACD/KOC (pH 7.4): 190.84 ; (5)#H bond acceptors: 4 ; (6)#H bond donors: 2 ; (7)#Freely Rotating Bonds: 3 ; (8)Index of Refraction: 1.569 ; (9)Molar Refractivity: 71.04 cm3 ; (10)Molar Volume: 216.7 cm3 ; (11)Polarizability: 28.16×10-24 cm3 ; (12)Surface Tension: 47.4 dyne/cm ; (13)Enthalpy of Vaporization: 63.99 kJ/mol ; (14)Vapour Pressure: 2.65E-06 mmHg at 25°C. People can use the following data to convert to the molecule structure. SMILES: CC(C)(C)OC(=O)N2CCc1c(cccc1N)C2; InChI: InChI=1/C14H20N2O2/c1-14(2,3)18-13(17)16-8-7-11-10(9-16)5-4-6-12(11)15/h4-6H,7-9,15H2,1-3H3. 5-Amino-2-tert-butoxycarbonyl-1,2,3,4-tetrahydroisoquinoline has many suppliers, such as Shanghai Hollymedchem Co., Ltd.. |
| Safety Data | |
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