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10030-88-3 | β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, ion(1-), (R)-, 2-hydroxy-N,N,N-trimethylethanaminium (9CI)
CAS No: 10030-88-3 Catalog No: AG0001IY MDL No:
Product Description
Catalog Number:
AG0001IY
Chemical Name:
β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, ion(1-), (R)-, 2-hydroxy-N,N,N-trimethylethanaminium (9CI)
CAS Number:
10030-88-3
IUPAC Name:
3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate;2-hydroxyethyl(trimethyl)azanium
InChI:
InChI=1S/C9H17NO5.C5H14NO/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;1-6(2,3)4-5-7/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);7H,4-5H2,1-3H3/q;+1/p-1
InChI Key:
HXCGBBALZREMAS-UHFFFAOYSA-M
EC Number:
233-081-8
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.21g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
322.402g/mol
Monoisotopic Mass:
322.21g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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