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

IUPAC: (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

CAS 74163-81-8
C10H11NO2

(-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid (CAS 74163-81-8) is a chemical compound with molecular formula C10H11NO2 and molecular weight 177.2 g/mol . GHS signal word: Warning. Hazard classifications: Health Hazard.

What is (-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid?

Molecular Formula
C10H11NO2
Molecular Weight
177.20 g/mol

Structure Identifiers

SMILES
C1[C@H](NCC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C10H11NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-4,9,11H,5-6H2,(H,12,13)/t9-/m0/s1
InChIKey
BWKMGYQJPOAASG-VIFPVBQESA-N

Properties

Computed

Calculated molecular descriptors used in drug design and computational chemistry.

Exact Mass
177.0790 Da
XLogP
-1.30
TPSA
49.3 Ų
H-Bond Donors
2
H-Bond Acceptors
3
Complexity
205
Formal Charge
0

Safety information

Signal Word

Warning

GHS Pictograms

GHS pictogram: Health Hazard GHS07

Hazard Statements

  • H315 Causes skin irritation

Precautionary Statements

  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray
  • P264 Wash thoroughly after handling
  • P271 Use only outdoors or in a well-ventilated area
  • P280 Wear protective gloves/protective clothing/eye protection/face protection
  • P302+P352 IF ON SKIN: Wash with soap and water
  • P304+P340 IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
  • P305+P351+P338 IF IN EYES: Rinse continuously with water for several minutes. Remove contact lenses if present and easy to do, continue rinsing
  • P321 Specific treatment (see supplemental first aid instructions on this label)
  • P403+P233 Store in a well-ventilated place. Keep container tightly closed
  • P405 Store locked up
  • P501 Dispose of contents/container to an approved waste disposal plant

Synonyms (45)

  • L-Tic
  • T1515
  • F040328
  • PDK0354
  • CS-D1187
  • H-TIC-OH
  • HY-I0422
  • L-Tic-OH
  • STR03867
  • SY017250
  • TS-02454
  • EBC-03573
  • Q27266148
  • 737G46U1NP
  • 74163-81-8
  • NS00120557
  • orb3029291
  • Z762926698
  • EN300-52866
  • L-Porretine
  • CHEMBL447576
  • MFCD00144533
  • AKOS016842273
  • SCHEMBL288272
  • RefChem:410574
  • DTXSID601351731
  • SCHEMBL29350565
  • UNII-737G46U1NP
  • Quinapril EP Impurity A
  • QUINAPRIL HYDROCHLORIDE IMPURITY A [EP IMPURITY]
  • L-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid
  • 1,2,3,4-tetrahydro-3(s)-isoquinolinecarboxylic acid
  • (-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid
  • (S)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid
  • (S)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid
  • (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
  • (3s)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
  • 1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID, (-)-
  • 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, (S)-
  • 1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID, (3S)-
  • (S)-(-)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid
  • (S)-(-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic Acid
  • (S)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid, 97%
  • 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, (3S)-
  • 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, (S)-isomer

Frequently asked questions

What is the CAS number of (-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid?

The CAS Registry Number for (-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid is 74163-81-8.

What is the IUPAC name of (-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid?

The IUPAC name of (-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid is (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid.

What is the molecular formula of (-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid?

(-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid has the molecular formula C10H11NO2 and a molecular weight of 177.2 g/mol.

What is the SMILES notation for (-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid?

The SMILES notation for (-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid is C1[C@H](NCC2=CC=CC=C21)C(=O)O.

Is (-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid hazardous?

(-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid carries the following GHS hazard classifications: Health Hazard. Signal word: Warning.

What are other names for (-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid?

(-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid is also known as (-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, (3s)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid, (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, (S)-(-)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid, (S)-(-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic Acid.

Data sourced from PubChem CID 2733226. Last updated .

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