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145545-23-9 | L-Alanine, 3-(phenylamino)-
CAS No: 145545-23-9 Catalog No: AG001D6C MDL No:MFCD00870556
Product Description
Catalog Number:
AG001D6C
Chemical Name:
L-Alanine, 3-(phenylamino)-
CAS Number:
145545-23-9
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD00870556
IUPAC Name:
(2S)-2-amino-3-anilinopropanoic acid
InChI:
InChI=1S/C9H12N2O2/c10-8(9(12)13)6-11-7-4-2-1-3-5-7/h1-5,8,11H,6,10H2,(H,12,13)/t8-/m0/s1
InChI Key:
HLZOBKHLQBRIJP-QMMMGPOBSA-N
SMILES:
N[C@H](C(=O)O)CNc1ccccc1
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
Literature
| Title | Journal |
|---|---|
| Polyelectrolyte multilayer films: A sponge for insulin? | Bio-medical materials and engineering 20100101 |
| Suppression of autophagy enhances the cytotoxicity of the DNA-damaging aromatic amine p-anilinoaniline. | Toxicology and applied pharmacology 20081015 |
| Generation of quinoneimine intermediates in the bioactivation of 3-(N-phenylamino)alanine (PAA) by human liver microsomes: a potential link between eosinophilia-myalgia syndrome and toxic oil syndrome. | Chemical research in toxicology 20071001 |
| Evaluation of vascular endothelial growth factor addition in vitro on mouse inner ear progenitor cell cultures. | Neuroreport 20060918 |
| Molecular modeling of interactions of dihydropyridines and phenylalkylamines with the inner pore of the L-type Ca2+ channel. | Molecular pharmacology 20030301 |
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