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22914-95-0

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Basic Information
CAS No.: 22914-95-0
Name: N-CBZ-3,4-DIHYDRO-1H-ISOQUINOLINECARBOXYLIC ACID
Article Data: 1
Molecular Structure:
Molecular Structure of 22914-95-0 (N-CBZ-3,4-DIHYDRO-1H-ISOQUINOLINECARBOXYLIC ACID)
Formula: C18H17NO4
Molecular Weight: 311.33
Synonyms: 1,2(1H)-Isoquinolinedicarboxylicacid, 3,4-dihydro-, 2-(phenylmethyl) ester, (?à)-;1,2(1H)-Isoquinolinedicarboxylic acid,3,4-dihydro-, 2-benzyl ester, (?à)- (8CI);N-Benzyloxycarbonyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylicacid;
Density: 1.308 g/cm3
Boiling Point: 521.6 °C at 760 mmHg
Flash Point: 269.2 °C
PSA: 66.84000
LogP: 2.94510
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Specification

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: 66.84Å2; (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