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3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, phenylmethyl ester, (3S)-, 4-methylbenzenesulfonate (1:1)

3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, phenylmethyl ester, (3S)-, 4-methylbenzenesulfonate (1:1) structure

CAS No:
77497-97-3
Formula:
C17H17NO2.C7H8O3S
Chemical Name:
3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, phenylmethyl ester, (3S)-, 4-methylbenzenesulfonate (1:1)
Synonyms:
3-Isoquinolinecarboxylic acid,1,2,3,4-tetrahydro-,phenylmethyl ester,(3S)-,4-methylbenzenesulfonate (1:1);3-Isoquinolinecarboxylic acid,1,2,3,4-tetrahydro-,phenylmethyl ester,(S)-,4-methylbenzenesulfonate;3-Isoquinolinecarboxylic acid,1,2,3,4-tetrahydro-,phenylmethyl ester,(3S)-,4-methylbenzenesulfonate
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, phenylmethyl ester, (3S)-, 4-methylbenzenesulfonate (1:1) Basic Attributes

Molecular Weight：

439.53

Exact Mass：

439.145355

EC Number：

406-960-0

UNII：

7O3F0JS1ZO

HScode：

2933499090

Characteristics

PSA：

101

XLogP3：

5.09560

Appearance：

white crystalline

Melting Point：

145-150°C

Boiling Point：

634.1°C at 760 mmHg

Safety Information

Packing level：

Ⅲ

Transport codes：

UN 3077

wgk germany：

hazard class code：

51/53

safety instructions：

Marks：

Precautionary statement(s)：

P273

Hazard Statements：

H411

GHS Classification：

|H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, P391, and P501|H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory.

3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, phenylmethyl ester, (3S)-, 4-methylbenzenesulfonate (1:1) Use and Manufacturing

Quinapril intermediate

Computed Properties

Molecular Weight:439.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:439.14534407
Monoisotopic Mass:439.14534407
Topological Polar Surface Area:101
Heavy Atom Count:31
Complexity:531
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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CAS No.: 77497-97-3

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Guide of 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, phenylmethyl ester, (3S)-, 4-methylbenzenesulfonate (1:1)

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
Learn More Other Chemicals

3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, phenylmethyl ester, (3S)-, 4-methylbenzenesulfonate (1:1)

SDS

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