187884-90-8
(S)-2-((3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1-YL)AMINO)PROPANOIC ACID
Name(S)-2-((3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1-YL)AMINO)PROPANOIC ACID
1Identification
【Name】
(S)-2-((3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1-YL)AMINO)PROPANOIC ACID
【CAS】
【MDL】
MFCD01937219
【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)/t9-/m0/s1
【InChIKey】
InChIKey=ZVYICXMIPNSFIA-VIFPVBQESA-N
【SMILES】
C[C@@H](C(=O)O)NC1=NC(Cc2c1cccc2)(C)C
【MOL File】
(S)-2-((3,3-DIMETHYL….mol
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
(S)-2-((3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1-YL)AMINO)PROPANOIC ACID.cml