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1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid

1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid structure

CAS No:
67123-97-1
Formula:
C10H11NO2
Chemical Name:
1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid
Synonyms:
3-Isoquinolinecarboxylic acid,1,2,3,4-tetrahydro-;3-Isoquinolinecarboxylic acid,1,2,3,4-tetrahydro-,(±)-;1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid;DL-3-Carboxy-1,2,3,4-tetrahydroisoquinoline;DL-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid;3-Carboxy-1,2,3,4-tetrahydroisoquinoline;1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid;NSC 14794;35186-99-3
Categories:
Biochemical Engineering > Amino Acids and Derivatives

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Description

White Solid

1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid Basic Attributes

Molecular Weight：

177.2

Exact Mass：

177.20

EC Number：

266-580-4

NSC Number：

14794

HScode：

2933499090

Characteristics

PSA：

49.3

XLogP3：

-1.3

Appearance：

White Solid

Density：

1.2±0.1 g/cm3

Melting Point：

311 °C @ Solvent: Ethanol

Boiling Point：

372ºC at 760 mmHg

Flash Point：

178.8±27.9 °C

Refractive Index：

1.577

Storage Conditions：

-20°C Freezer

Safety Information

hazard class code：

36/37/38-22

safety instructions：

26-36/37/39

Marks：

Xi,Xn

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid Use and Manufacturing

A suspension of D, L-phenylalanine (50 g, 3.03 mol) in con. HCl (325 mL) and 37percent formaldehyde (110 mL) was heated to a gentle reflux with vigorous stirring for 30 min. To the solution of 187 phenylalanine 37 (16.5g, 0.1mol) in 94 HCl (150mL), 33percent 188 formaldehyde solution (70mL, 1mol) was added. The reaction mixture was stirred at refluxing for 6h and TLC analysis indicated that the reaction was completed. The mixture was filtered to give white 189 solid 11 in 33percent yield. m.p. 245–247°C;

Computed Properties

Molecular Weight:177.20
XLogP3:-1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:177.078978594
Monoisotopic Mass:177.078978594
Topological Polar Surface Area:49.3
Heavy Atom Count:13
Complexity:205
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid

SDS

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