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857176-00-2 | Propanoic acid, 2-methyl-3-[(2-phenylethyl)amino]-
CAS No: 857176-00-2 Catalog No: AG004SG8 MDL No:
Product Description
Catalog Number:
AG004SG8
Chemical Name:
Propanoic acid, 2-methyl-3-[(2-phenylethyl)amino]-
CAS Number:
857176-00-2
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
IUPAC Name:
2-methyl-3-(2-phenylethylamino)propanoic acid
InChI:
InChI=1S/C12H17NO2/c1-10(12(14)15)9-13-8-7-11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3,(H,14,15)
InChI Key:
JIVTYIXKNAIIOT-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)CNCCc1ccccc1
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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