N-Boc-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid supplier

Name
2-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-CARBOXYLIC ACID
EINECS
CAS No. 149353-95-7
Article Data7
CAS DataBase
Density 1.221 g/cm³
Solubility
Melting Point 151-153 °C
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-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxylicacid;N-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid;2,7(1H)-isoquinolinedicarboxylic acid, 3,4-dihydro-, 2-(1,1-dimethylethyl) ester;3,4-Dihydro-1H-isoquinoline-2,7-dicarboxylic acid 2-tert-butyl ester;2-Boc-1,2,3,4-Tetrahydroisoquinoline-7-Carboxylic Acid;
PSA 66.84000
LogP 2.61590

N-Boc-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid Specification

The N-Boc-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid, with the CAS registry number 149353-95-7, has the systematic name of 2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid. It belongs to the product category of Pharmacetical. And the molecular formula of the chemical is C₁₅H₁₉NO₄.

The characteristics of N-Boc-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid are as followings: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 3.69; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 40.53; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 66.84 Å²; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 73.73 cm³; (15)Molar Volume: 227 cm³; (16)Polarizability: 29.23×10^-24cm³; (17)Surface Tension: 49.2 dyne/cm; (18)Density: 1.221 g/cm³; (19)Flash Point: 213.4 °C; (20)Enthalpy of Vaporization: 72.16 kJ/mol; (21)Boiling Point: 429.3 °C at 760 mmHg; (22)Vapour Pressure: 3.93E-08 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(=O)c1ccc2CCN(Cc2c1)C(=O)OC(C)(C)C
(2)InChI: InChI=1/C15H19NO4/c1-15(2,3)20-14(19)16-7-6-10-4-5-11(13(17)18)8-12(10)9-16/h4-5,8H,6-7,9H2,1-3H3,(H,17,18)
(3)InChIKey: FOOWPXAXLKCQAE-UHFFFAOYAS

Product Name

2-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-CARBOXYLIC ACID

N-Boc-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid Specification

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