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1416438-05-5 | Threonine, 3-methyl-, methyl ester, hydrochloride (1:1)
CAS No: 1416438-05-5 Catalog No: AG001GRE MDL No:
Product Description
Catalog Number:
AG001GRE
Chemical Name:
Threonine, 3-methyl-, methyl ester, hydrochloride (1:1)
CAS Number:
1416438-05-5
Molecular Formula:
C6H14ClNO3
Molecular Weight:
183.6333
IUPAC Name:
methyl 2-amino-3-hydroxy-3-methylbutanoate;hydrochloride
InChI:
InChI=1S/C6H13NO3.ClH/c1-6(2,9)4(7)5(8)10-3;/h4,9H,7H2,1-3H3;1H
InChI Key:
FOAAHTSYWGRARN-UHFFFAOYSA-N
SMILES:
COC(=O)[C@H](C(O)(C)C)N.Cl
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.066g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
183.632g/mol
Monoisotopic Mass:
183.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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