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(R)-N-Cbz-3,4-Dihydro-1H-isoquinolinecarboxylic acid

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Name

(R)-N-Cbz-3,4-Dihydro-1H-isoquinolinecarboxylic acid

EINECS N/A
CAS No. 151004-88-5 Density 1.308 g/cm3
PSA 66.84000 LogP 2.94510
Solubility N/A Melting Point N/A
Formula C18H17NO4 Boiling Point 521.6 °C at 760 mmHg
Molecular Weight 311.337 Flash Point 269.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 151004-88-5 ((R)-N-Cbz-3,4-Dihydro-1H-isoquinolinecarboxylic acid) Hazard Symbols N/A
Synonyms

1,2(1H)-Isoquinolinedicarboxylicacid, 3,4-dihydro-, 2-(phenylmethyl) ester, (R)-;

Article Data 2

(R)-N-Cbz-3,4-Dihydro-1H-isoquinolinecarboxylic acid Specification

The (R)-N-Cbz-3,4-Dihydro-1H-isoquinolinecarboxylic acid is an organic compound with the formula C18H17NO4. The systematic name of this chemical is (1R)-2-benzyloxycarbonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid. With the CAS registry number 151004-88-5, it is also named as 1,2(1H)-isoquinolinedicarboxylic acid, 3,4-dihydro-, 2-(phenylmethyl) ester, (1R)-.

Physical properties about (R)-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: 66.84 Å2; (6)Index of Refraction: 1.619; (7)Molar Refractivity: 83.53 cm3; (8)Molar Volume: 237.8 cm3; (9)Polarizability: 33.11×10-24cm3; (10)Surface Tension: 58.7 dyne/cm; (11)Density: 1.308 g/cm3; (12)Flash Point: 269.2 °C; (13)Enthalpy of Vaporization: 83.67 kJ/mol; (14)Boiling Point: 521.6 °C at 760 mmHg; (15)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

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