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2-METHYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLICACID

2-METHYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLICACID structure

CAS No:
54329-54-3
Formula:
C11H13NO2
Chemical Name:
2-METHYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLICACID
Synonyms:
AKOS BB-8836;2-METHYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID;CHEMBRDG-BB 4400181;2-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid(SALTDATA: HCl);3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-Methyl-;1,2,3,4-Tetrahydro-2-methyl-3-isoquinolinecarboxylic acid;2-Methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrobromide≥ 95% (NMR);2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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2-METHYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLICACID Basic Attributes

Molecular Weight：

191.23

Exact Mass：

191.094628657

DSSTox ID：

DTXSID50390145

HScode：

2933499090

Characteristics

PSA：

40.54000

XLogP3：

1.06560

Density：

1.198±0.06 g/cm3

Boiling Point：

343.0±42.0 °C(Predicted)

Flash Point：

161.3ºC

PKA：

2.22±0.20

Safety Information

Hazard category：

IRRITANT

Marks：

Computed Properties

Molecular Weight:191.23
XLogP3:-0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:191.094628657
Monoisotopic Mass:191.094628657
Topological Polar Surface Area:40.5
Heavy Atom Count:14
Complexity:229
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 54329-54-3

Grade: Pharmacy Grade

Content: 99%

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Guide of 2-METHYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLICACID

Basic Attributes
Characteristics
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