537049-19-7
2-(3,3-DIMETHYL-3,4-DIHYDRO-ISOQUINOLIN-1-YL-AMINO)-PROPIONIC ACID
Name
2-(3,3-DIMETHYL-3,4-DIHYDRO-ISOQUINOLIN-1-YL-AMINO)-PROPIONIC ACID
Formula
C14 H18 N2 O2
MolWeight
246.308
1Identification
【Name】
2-(3,3-DIMETHYL-3,4-DIHYDRO-ISOQUINOLIN-1-YL-AMINO)-PROPIONIC ACID
【CAS】
【MDL】
MFCD00608486
【English Synonyms】
【Formula】
C14 H18 N2 O2
【MolWeight】
246.308
【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)
【InChIKey】
InChIKey=ZVYICXMIPNSFIA-UHFFFAOYSA-N
【SMILES】
CC(C(=O)O)NC1=NC(Cc2c1cccc2)(C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(3,3-DIMETHYL-3,4-DIHYDRO-ISOQUINOLIN-1-YL-AMINO)-PROPIONIC ACID.cml
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