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138406-48-1 | L-Threonine, N,N-dimethyl-
CAS No: 138406-48-1 Catalog No: AG0018PV MDL No:
Product Description
Catalog Number:
AG0018PV
Chemical Name:
L-Threonine, N,N-dimethyl-
CAS Number:
138406-48-1
Molecular Formula:
C6H13NO3
Molecular Weight:
147.1723
IUPAC Name:
(2S,3R)-2-(dimethylamino)-3-hydroxybutanoic acid
InChI:
InChI=1S/C6H13NO3/c1-4(8)5(6(9)10)7(2)3/h4-5,8H,1-3H3,(H,9,10)/t4-,5+/m1/s1
InChI Key:
CIVVRPHZRYVSCF-UHNVWZDZSA-N
SMILES:
CN([C@H](C(=O)O)[C@H](O)C)C
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
147.09g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
147.174g/mol
Monoisotopic Mass:
147.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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