Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Related Products

Hot Products

Name

Methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate

EINECS N/A
CAS No. 57060-86-3 Density 1.125 g/cm3
PSA 38.33000 LogP 1.20270
Solubility N/A Melting Point N/A
Formula C11H13NO2 Boiling Point 298 °C at 760 mmHg
Molecular Weight 191.23 Flash Point 134.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 57060-86-3 (Methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate) Hazard Symbols N/A
Synonyms

1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACID METHYL ESTER;3-ISOQUINOLINECARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-, METHYL ESTER;AKOS B020563;AKOS BB-6889;METHYL 1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLATE;ART-CHEM-BB B020563;1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid methyl ester ,95%

Article Data 11

Methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate Specification

The Methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate, with CAS registry number 57060-86-3, has the systematic name of methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate. Besides this, it is also called 3-isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, methyl ester. And the chemical formula of this chemical is C11H13NO2.

Physical properties of Methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.98; (4)ACD/LogD (pH 7.4): 0.68; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.52; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 35.2; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 52.72 cm3; (15)Molar Volume: 169.9 cm3; (16)Polarizability: 20.9×10-24cm3; (17)Surface Tension: 38.9 dyne/cm; (18)Enthalpy of Vaporization: 53.79 kJ/mol; (19)Vapour Pressure: 0.0013 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C2NCc1ccccc1C2
(2)InChI: InChI=1/C11H13NO2/c1-14-11(13)10-6-8-4-2-3-5-9(8)7-12-10/h2-5,10,12H,6-7H2,1H3
(3)InChIKey: YTNGWXICCHJHKA-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C11H13NO2/c1-14-11(13)10-6-8-4-2-3-5-9(8)7-12-10/h2-5,10,12H,6-7H2,1H3
(5)Std. InChIKey: YTNGWXICCHJHKA-UHFFFAOYSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 57060-86-3