CAS No.103733-33-1,L-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	103733-33-1
Name:	L-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE

Formula:	C₁₂H₁₆ClNO₂
Molecular Weight:	241.718
Synonyms:	1-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-, ethyl ester, hydrochloride (9CI);Ethyl1,2,3,4-tetrahydroisoquinoline-1-carboxylate hydrochloride;
Boiling Point:	345.9 °Cat760mmHg
Flash Point:	163 °C
PSA:	38.33000
LogP:	2.56730

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Specification

This chemical is called 1-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-, ethyl ester, hydrochloride (1:1), and its IUPAC name is ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate hydrochloride. With the molecular formula of C₁₂H₁₆ClNO₂, its molecular weight is 241.71. The CAS registry number of this chemical is 103733-33-1.

Other characteristics of the 1-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-, ethyl ester, hydrochloride (1:1) can be summarised as followings: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.03 ; (4)#H bond acceptors: 3; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 38.33 Å²; (8)Flash Point: 163 °C; (9)Enthalpy of Vaporization: 60.17 kJ/mol; (10)Boiling Point: 345.9 °C at 760 mmHg; (11)Vapour Pressure: 4.22E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Cl.CCOC(=O)C1NCCc2ccccc12
2.InChI: InChI=1/C12H15NO2.ClH/c1-2-15-12(14)11-10-6-4-3-5-9(10)7-8-13-11;/h3-6,11,13H,2,7-8H2,1H3;1H
3.InChIKey: LRLJUGFKJBKGTR-UHFFFAOYAC