1,2(1H)-Isoquinolinedicarboxylicacid, 3,4-dihydro-, 2-(phenylmethyl) ester (22914-95-0)

The N-Cbz-3,4-dihydro-1H-isoquinolinecarboxylic acid with its cas register number is 22914-95-0. It also can be called as 1,2(1H)-Isoquinolinedicarboxylicacid, 3,4-dihydro-, 2-(phenylmethyl) ester and the Systematic name about this chemical is (1R)-2-benzyloxycarbonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid. It belongs to the API intermediates.

Physical properties about N-Cbz-3,4-dihydro-1H-isoquinolinecarboxylic acid are: (1)ACD/LogP: 2.69; (2)#H bond acceptors: 5; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 66.84Ų; (6)Index of Refraction: 1.619; (7)Molar Refractivity: 83.53 cm³; (8)Molar Volume: 237.8 cm³; (9)Polarizability: 33.11x10^-24cm³; (10)Surface Tension: 58.7 dyne/cm; (11)Enthalpy of Vaporization: 83.67 kJ/mol; (12)Vapour Pressure: 1.05E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)COC(=O)N2CCc3ccccc3C2C(=O)O
(2)InChI: InChI=1/C18H17NO4/c20-17(21)16-15-9-5-4-8-14(15)10-11-19(16)18(22)23-12-13-6-2-1-3-7-13/h1-9,16H,10-12H2,(H,20,21)/t16-/m1/s1
(3)InChIKey: ACQYZSFXPXXIHL-MRXNPFEDBC
(4)Std. InChI: InChI=1S/C18H17NO4/c20-17(21)16-15-9-5-4-8-14(15)10-11-19(16)18(22)23-12-13-6-2-1-3-7-13/h1-9,16H,10-12H2,(H,20,21)/t16-/m1/s1
(5)Std. InChIKey: ACQYZSFXPXXIHL-MRXNPFEDSA-N