ChemicalBook--->CAS DataBase List--->76824-86-7

76824-86-7

76824-86-7 Structure

76824-86-7 Structure
IdentificationBack Directory
[Name]

6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
[CAS]

76824-86-7
[Synonyms]

Albb-005267
TIMTEC-BB SBB011756
6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-
[Molecular Formula]

C12H15NO4
[MDL Number]

MFCD07186352
[MOL File]

76824-86-7.mol
[Molecular Weight]

237.25
Chemical PropertiesBack Directory
[Boiling point ]

434.8±45.0 °C(Predicted)
[density ]

1.232±0.06 g/cm3(Predicted)
[form ]

solid
[pka]

2.15±0.20(Predicted)
[InChI]

1S/C12H15NO4/c1-16-10-4-7-3-9(12(14)15)13-6-8(7)5-11(10)17-2/h4-5,9,13H,3,6H2,1-2H3,(H,14,15)
[InChIKey]

BWYXEHBJIMGDEB-UHFFFAOYSA-N
[SMILES]

COc1cc2CNC(Cc2cc1OC)C(O)=O
Safety DataBack Directory
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

22
[WGK Germany ]

WGK 3
[HazardClass ]

IRRITANT
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
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