CAS No.214630-00-9,BOC-7-HYDROXY-D-TIC-OH Suppliers

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Basic Information

Molecular Structure:
CAS No.:	214630-00-9
Name:	BOC-7-HYDROXY-D-TIC-OH

Formula:	C₁₅H₁₉NO₅
Molecular Weight:	293.32
Synonyms:	(3R)-2-(tert-Butoxycarbonyl)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid;
Density:	1.274g/cm³
Boiling Point:	484.716 °C at 760 mmHg
Flash Point:	246.948 °C
PSA:	87.07000
LogP:	2.07650

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Specification

The 2,3(1H)-Isoquinolinedicarboxylicacid, 3,4-dihydro-7-hydroxy-, 2-(1,1-dimethylethyl) ester, (3R)-, with CAS registry number 214630-00-9, has the systematic name of (1R)-1-(tert-Butoxycarbonyl)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid. Besides this, it is also called Boc-7-hydroxy-d-tic-oh. This chemical should be stored at the temperature of -15°C. And the chemical formula of this chemical is C₁₅H₁₉NO₅.

Physical properties of 2,3(1H)-Isoquinolinedicarboxylicacid, 3,4-dihydro-7-hydroxy-, 2-(1,1-dimethylethyl) ester, (3R)-: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.173; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.311; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 95.86 Å²; (12)Index of Refraction: 1.561; (13)Molar Refractivity: 74.579 cm³; (14)Molar Volume: 230.155 cm³; (15)Polarizability: 29.565×10^-24cm³; (16)Surface Tension: 51.421 dyne/cm; (17)Density: 1.274 g/cm³; (18)Flash Point: 246.948 °C; (19)Enthalpy of Vaporization: 79.005 kJ/mol; (20)Boiling Point: 484.716 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)[C@H]1c2cc(ccc2CC(N1)C(=O)O)O
(2)InChI: InChI=1/C15H19NO5/c1-15(2,3)21-14(20)12-10-7-9(17)5-4-8(10)6-11(16-12)13(18)19/h4-5,7,11-12,16-17H,6H2,1-3H3,(H,18,19)/t11?,12-/m1/s1
(3)InChIKey: MNZIGCRSRYCUIM-PIJUOVFKBM
(4)Std. InChI: InChI=1S/C15H19NO5/c1-15(2,3)21-14(20)12-10-7-9(17)5-4-8(10)6-11(16-12)13(18)19/h4-5,7,11-12,16-17H,6H2,1-3H3,(H,18,19)/t11?,12-/m1/s1
(5)Std. InChIKey: MNZIGCRSRYCUIM-PIJUOVFKSA-N