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2462-35-3

2462-35-3 | L-Leucine, phenylmethyl ester, hydrochloride (1:1)

CAS No: 2462-35-3 Catalog No: AG002OT8 MDL No:MFCD00034855

Product Description

Catalog Number:
AG002OT8
Chemical Name:
L-Leucine, phenylmethyl ester, hydrochloride (1:1)
CAS Number:
2462-35-3
Molecular Formula:
C13H20ClNO2
Molecular Weight:
257.7564
MDL Number:
MFCD00034855
IUPAC Name:
benzyl (2S)-2-amino-4-methylpentanoate;hydrochloride
InChI:
InChI=1S/C13H19NO2.ClH/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;1H/t12-;/m0./s1
InChI Key:
HCYLOEGSAOVRIT-YDALLXLXSA-N
SMILES:
N[C@H](C(=O)OCc1ccccc1)CC(C)C.Cl

Properties

Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
257.118g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
257.758g/mol
Monoisotopic Mass:
257.118g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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