3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, methyl ester,hydrochloride, (3S)-


Chemical Name: 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, methyl ester,hydrochloride, (3S)-
CAS Number: 78183-55-8
Product Number: AG003RJ9(AGN-PC-0UD2ZX)
Synonyms:
MDL No: MFCD05861484
Molecular Formula: C11H14ClNO2
Molecular Weight: 227.6874

Identification/Properties


Properties
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
227.688g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
227.071g/mol
Monoisotopic Mass:
227.071g/mol
Topological Polar Surface Area:
38.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
217
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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