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

1-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-6-hydroxy-, ethyl ester, hydrochloride (1:1)

Related Products

Hot Products

Name

1-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-6-hydroxy-, ethyl ester, hydrochloride (1:1)

EINECS N/A
CAS No. 128073-50-7 Density N/A
PSA 58.56000 LogP 2.27290
Solubility N/A Melting Point N/A
Formula C12H16ClNO3 Boiling Point 407.7 °C at 760 mmHg
Molecular Weight 257.717 Flash Point 200.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 128073-50-7 (6-HYDROXY-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLIC ACID ETHYL ESTER HYDROCHLORIDE) Hazard Symbols N/A
Synonyms

1-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-6-hydroxy-, ethyl ester, hydrochloride (9CI);6-Hydroxy-1,2,3,4-Tetrahydro-Isoquinoline-1-Carboxylic Acid Ethyl Ester Hydrochloride;

Article Data 2

1-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-6-hydroxy-, ethyl ester, hydrochloride (1:1) Specification

The 1-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-6-hydroxy-, ethyl ester, hydrochloride (1:1), with CAS registry number 128073-50-7, has the systematic name of ethyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate hydrochloride. Besides this, it is also called 6-Hydroxy-1,2,3,4-tetrahydro-isoquinoline-1-carboxylic acid ethyl ester hydrochloride. And the chemical formula of this chemical is C12H16ClNO3.

Physical properties of 1-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-6-hydroxy-, ethyl ester, hydrochloride (1:1): (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.15; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 14.11; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 58.56 Å2; (12)Flash Point: 200.4 °C; (13)Enthalpy of Vaporization: 68.53 kJ/mol; (14)Boiling Point: 407.7 °C at 760 mmHg; (15)Vapour Pressure: 3.14E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.CCOC(=O)C1NCCc2cc(O)ccc12
(2)InChI: InChI=1/C12H15NO3.ClH/c1-2-16-12(15)11-10-4-3-9(14)7-8(10)5-6-13-11;/h3-4,7,11,13-14H,2,5-6H2,1H3;1H
(3)InChIKey: PMQLEMKSBRHVJY-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C12H15NO3.ClH/c1-2-16-12(15)11-10-4-3-9(14)7-8(10)5-6-13-11;/h3-4,7,11,13-14H,2,5-6H2,1H3;1H
(5)Std. InChIKey: PMQLEMKSBRHVJY-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 128073-50-7