Home Other Building Blocks 2-(1,2,3,4-tetrahydroisoquinolin-2-yl)propanoic acid hydrochloride

2-(1,2,3,4-tetrahydroisoquinolin-2-yl)propanoic acid hydrochloride

CAS No.:
1265964-21-3
Catalog Number:
AG01AGMJ
Molecular Formula:
C12H16ClNO2
Molecular Weight:
241.7139
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Product Description
Catalog Number:
AG01AGMJ
Chemical Name:
2-(1,2,3,4-tetrahydroisoquinolin-2-yl)propanoic acid hydrochloride
CAS Number:
1265964-21-3
Molecular Formula:
C12H16ClNO2
Molecular Weight:
241.7139
MDL Number:
MFCD26959577
IUPAC Name:
2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoic acid;hydrochloride
InChI:
InChI=1S/C12H15NO2.ClH/c1-9(12(14)15)13-7-6-10-4-2-3-5-11(10)8-13;/h2-5,9H,6-8H2,1H3,(H,14,15);1H
InChI Key:
GIZUTJUBHLPALJ-UHFFFAOYSA-N
SMILES:
OC(=O)C(N1CCc2c(C1)cccc2)C.Cl
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.087g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
241.715g/mol
Monoisotopic Mass:
241.087g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties