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119483-45-3 | L-Valine, 3-methyl-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS No: 119483-45-3 Catalog No: AG000IV0 MDL No:MFCD00038904
Product Description
Catalog Number:
AG000IV0
Chemical Name:
L-Valine, 3-methyl-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS Number:
119483-45-3
Molecular Formula:
C10H22ClNO2
Molecular Weight:
223.7402
MDL Number:
MFCD00038904
IUPAC Name:
tert-butyl (2S)-2-amino-3,3-dimethylbutanoate;hydrochloride
InChI:
InChI=1S/C10H21NO2.ClH/c1-9(2,3)7(11)8(12)13-10(4,5)6;/h7H,11H2,1-6H3;1H/t7-;/m1./s1
InChI Key:
OOJKHARXMDMOCG-OGFXRTJISA-N
SMILES:
O=C([C@H](C(C)(C)C)N)OC(C)(C)C.Cl
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
223.134g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.741g/mol
Monoisotopic Mass:
223.134g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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