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202979-88-2 | Alanine, 3-[methyl(2-phenylethyl)amino]-
CAS No: 202979-88-2 Catalog No: AG0028LW MDL No:
Product Description
Catalog Number:
AG0028LW
Chemical Name:
Alanine, 3-[methyl(2-phenylethyl)amino]-
CAS Number:
202979-88-2
Molecular Formula:
C12H18N2O2
Molecular Weight:
222.2835
IUPAC Name:
(2S)-2-amino-3-[methyl(2-phenylethyl)amino]propanoic acid
InChI:
InChI=1S/C12H18N2O2/c1-14(9-11(13)12(15)16)8-7-10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3,(H,15,16)/t11-/m0/s1
InChI Key:
HLUAMPKDVSVBLC-NSHDSACASA-N
SMILES:
N[C@H](C(=O)O)CN(CCc1ccccc1)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
222.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.288g/mol
Monoisotopic Mass:
222.137g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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