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187884-87-3 | β-Alanine, N-(3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)-
CAS No: 187884-87-3 Catalog No: AG002GJS MDL No:
Product Description
Catalog Number:
AG002GJS
Chemical Name:
β-Alanine, N-(3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)-
CAS Number:
187884-87-3
Molecular Formula:
C14H18N2O2
Molecular Weight:
246.3049
IUPAC Name:
3-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)amino]propanoic acid
InChI:
InChI=1S/C14H18N2O2/c1-14(2)9-10-5-3-4-6-11(10)13(16-14)15-8-7-12(17)18/h3-6H,7-9H2,1-2H3,(H,15,16)(H,17,18)
InChI Key:
KHJUAUGETKHIEI-UHFFFAOYSA-N
SMILES:
OC(=O)CCNC1=NC(C)(C)Cc2c1cccc2
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.137g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.31g/mol
Monoisotopic Mass:
246.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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