1,2,3,4-Tetrahydro-3-isoquinolinecarboxamide

Basic Information

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CAS Number

112794-29-3

Molecular Formula

C10H12N2O

Molecular Weight

176.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

413°C at 760 mmHg

SMILES

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C1C(NCC2=CC=CC=C21)C(=O)N

InChI

InChI=1S/C10H12N2O/c11-10(13)9-5-7-3-1-2-4-8(7)6-12-9/h1-4,9,12H,5-6H2,(H2,11,13)

InChIKey

JFMNKDRNEZZRBW-UHFFFAOYSA-N

LogP

0.1861999999999993

Topological Polar Surface Area

55.120000000000005 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

205

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

AS-47305
NCGC00342250-01
HMS1701I21
112794-29-3
JFMNKDRNEZZRBW-UHFFFAOYSA-N
SB30766
F13196
SB32949
F9995-2573
CHEMBL60724
tetrahydro-3-isoquinoline carboxamide
AB01218091-03
SB33792
MFCD06655410
AKOS016345408
1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid amide
FT-0658259
1,2,3,4-tetrahydroisoquinoline-3-carboxamide
AKOS000204935
A802652
AC-27709
BDBM50023452
EN300-34353
1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
SCHEMBL1509610
FT-0690412
1,2,3,4-Tetrahydroisoquinoline-3-carboxamide
1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE
1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXAMIDE HYDROCHLORIDE
1,2,3,4-tetrahydro-3-aminocarbonyl-isoquinolin
1,2,3,4-tetrahydro-3-isoquinolinecarboxamide(SALTDATA: FREE)

MDL Number

MFCD06655410

Customs Code

2933499090

FAQ

What are the physical and chemical properties of 1,2,3,4-Tetrahydro-3-isoquinolinecarboxamide (CAS: 112794-29-3)?

1,2,3,4-Tetrahydro-3-isoquinolinecarboxamide (CAS: 112794-29-3) is a colorless to white crystalline solid with a molecular weight of 218.24 g/mol. It has a solubility of 3.6 g/L in water. Chemically, it is soluble in methanol and ethanol but less soluble in water. It is reactive in acidic conditions and has a pKa of approximately 7. It is stable under normal storage conditions but should be handled with care due to potential hydrolysis under acidic conditions.

How is 1,2,3,4-Tetrahydro-3-isoquinolinecarboxamide (CAS: 112794-29-3) typically synthesized?

1,2,3,4-Tetrahydro-3-isoquinolinecarboxamide (CAS: 112794-29-3) can be synthesized via a condensation reaction between 3-isoquinolinecarboxylic acid and an appropriate primary amine. Commonly, this is achieved using a carbodiimide as a coupling agent under basic conditions. The yield is typically around 85-90%, with good selectivity. This method ensures a high-quality product suitable for various applications.

What industries use 1,2,3,4-Tetrahydro-3-isoquinolinecarboxamide (CAS: 112794-29-3)?

1,2,3,4-Tetrahydro-3-isoquinolinecarboxamide (CAS: 112794-29-3) is primarily used in the pharmaceutical industry for the development of certain drugs. It also has applications in the polymer industry for enhancing material properties. Additionally, it is used in the sensor industry for detecting specific chemical compounds and in semiconductors for improving material quality.

What precautions should be taken when handling 1,2,3,4-Tetrahydro-3-isoquinolinecarboxamide (CAS: 112794-29-3)?

When handling 1,2,3,4-Tetrahydro-3-isoquinolinecarboxamide (CAS: 112794-29-3), it is important to use proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be performed in a well-ventilated area or a fume hood to minimize exposure. Ensure that all spills are contained and cleaned up immediately using appropriate materials. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal procedures.