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13518-40-6 | L-Valine tert-butyl ester hydrochloride
CAS No: 13518-40-6 Catalog No: AG003546 MDL No:MFCD00034863
Product Description
Catalog Number:
AG003546
Chemical Name:
L-Valine tert-butyl ester hydrochloride
CAS Number:
13518-40-6
Molecular Formula:
C9H20ClNO2
Molecular Weight:
209.7136
MDL Number:
MFCD00034863
IUPAC Name:
tert-butyl (2S)-2-amino-3-methylbutanoate;hydrochloride
InChI:
InChI=1S/C9H19NO2.ClH/c1-6(2)7(10)8(11)12-9(3,4)5;/h6-7H,10H2,1-5H3;1H/t7-;/m0./s1
InChI Key:
AUIVQIHTTVPKFS-FJXQXJEOSA-N
SMILES:
CC([C@@H](C(=O)OC(C)(C)C)N)C.Cl
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
209.118g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.714g/mol
Monoisotopic Mass:
209.118g/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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