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119830-32-9 | L-Alanine, 3-[(phenylmethyl)amino]-
CAS No: 119830-32-9 Catalog No: AG000PQW MDL No:MFCD00145256
Product Description
Catalog Number:
AG000PQW
Chemical Name:
L-Alanine, 3-[(phenylmethyl)amino]-
CAS Number:
119830-32-9
Molecular Formula:
C10H14N2O2
Molecular Weight:
194.2304
MDL Number:
MFCD00145256
IUPAC Name:
(2S)-2-amino-3-(benzylamino)propanoic acid
InChI:
InChI=1S/C10H14N2O2/c11-9(10(13)14)7-12-6-8-4-2-1-3-5-8/h1-5,9,12H,6-7,11H2,(H,13,14)/t9-/m0/s1
InChI Key:
GBGMJYPWCZYLAW-VIFPVBQESA-N
SMILES:
N[C@H](C(=O)O)CNCc1ccccc1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
194.106g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
194.234g/mol
Monoisotopic Mass:
194.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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