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187884-90-8 | L-Alanine,N-(3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)-
CAS No: 187884-90-8 Catalog No: AG002GJR MDL No:MFCD01937219
Product Description
Catalog Number:
AG002GJR
Chemical Name:
L-Alanine,N-(3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)-
CAS Number:
187884-90-8
Molecular Formula:
C14H18N2O2
Molecular Weight:
246.3049
MDL Number:
MFCD01937219
IUPAC Name:
(2S)-2-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)amino]propanoic acid
InChI:
InChI=1S/C14H18N2O2/c1-9(13(17)18)15-12-11-7-5-4-6-10(11)8-14(2,3)16-12/h4-7,9H,8H2,1-3H3,(H,15,16)(H,17,18)/t9-/m0/s1
InChI Key:
ZVYICXMIPNSFIA-VIFPVBQESA-N
SMILES:
OC(=O)[C@@H](NC1=NC(C)(C)Cc2c1cccc2)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
2
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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