N-Boc-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid supplier

Name
2-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-6-CARBOXYLIC ACID
EINECS
CAS No. 170097-67-3
Article Data10
CAS DataBase
Density 1.221 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₉NO₄
Boiling Point 429.3 °C at 760 mmHg
Molecular Weight 277.32
Flash Point 213.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-[[(1,1-Dimethylethyl)oxy]carbonyl]-1,2,3,4-tetrahydro-6-isoquinolinecarboxylicacid;3,4-Dihydro-1H-isoquinoline-2,6-dicarboxylic acid 2-tert-butyl ester;
PSA 66.84000
LogP 2.61590

N-Boc-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid Specification

The CAS register number of N-Boc-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid is 170097-67-3. It also can be called as 2,6(1H)-Isoquinolinedicarboxylicacid, 3,4-dihydro-, 2-(1,1-dimethylethyl) ester and the IUPAC name about this chemical is 2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid. The molecular formula about this chemical is C₁₅H₁₉NO₄ and molecular weight is 277.32. It belongs to the Pharmacetical.

Physical properties about N-Boc-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid are: (1)ACD/LogP: 2.62; (2)ACD/LogD (pH 5.5): 1.39; (3)ACD/BCF (pH 5.5): 3.39; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 37.28; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 55.84Å²; (11)Index of Refraction: 1.563; (12)Molar Refractivity: 73.73 cm³; (13)Molar Volume: 227 cm³; (14)Polarizability: 29.23x10^-24cm³; (15)Surface Tension: 49.2 dyne/cm; (16)Enthalpy of Vaporization: 72.16 kJ/mol; (17)Boiling Point: 429.3 °C at 760 mmHg; (18)Vapour Pressure: 3.93E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N2Cc1c(cc(cc1)C(=O)O)CC2
(2)InChI: InChI=1/C15H19NO4/c1-15(2,3)20-14(19)16-7-6-10-8-11(13(17)18)4-5-12(10)9-16/h4-5,8H,6-7,9H2,1-3H3,(H,17,18)
(3)InChIKey: UHOIFEOHBGCPHE-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-7-6-10-8-11(13(17)18)4-5-12(10)9-16/h4-5,8H,6-7,9H2,1-3H3,(H,17,18)
(5)Std. InChIKey: UHOIFEOHBGCPHE-UHFFFAOYSA-N

Product Name

2-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-6-CARBOXYLIC ACID

N-Boc-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid Specification

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