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1738-69-8 | L-Leucine, phenylmethyl ester
CAS No: 1738-69-8 Catalog No: AG001Z74 MDL No:MFCD00048358
Product Description
Catalog Number:
AG001Z74
Chemical Name:
L-Leucine, phenylmethyl ester
CAS Number:
1738-69-8
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
MDL Number:
MFCD00048358
IUPAC Name:
benzyl (2S)-2-amino-4-methylpentanoate
InChI:
InChI=1S/C13H19NO2/c1-10(2)8-12(14)13(15)16-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9,14H2,1-2H3/t12-/m0/s1
InChI Key:
MBRRYUQWSOODEO-LBPRGKRZSA-N
SMILES:
N[C@H](C(=O)OCc1ccccc1)CC(C)C
EC Number:
217-093-0
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
221.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.3g/mol
Monoisotopic Mass:
221.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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