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74347-31-2 | 2-Methyl-2-imidazoline hydrogen tartrate
CAS No: 74347-31-2 Catalog No: AG005C23 MDL No:
Product Description
Catalog Number:
AG005C23
Chemical Name:
2-Methyl-2-imidazoline hydrogen tartrate
CAS Number:
74347-31-2
Molecular Formula:
C8H14N2O6
Molecular Weight:
234.2066
IUPAC Name:
2,3-dihydroxybutanedioic acid;2-methyl-4,5-dihydro-1H-imidazole
InChI:
InChI=1S/C4H8N2.C4H6O6/c1-4-5-2-3-6-4;5-1(3(7)8)2(6)4(9)10/h2-3H2,1H3,(H,5,6);1-2,5-6H,(H,7,8)(H,9,10)
InChI Key:
MLTUPVBYXCWMBU-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(C(=O)O)O)O.CC1=NCCN1
EC Number:
277-832-8
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
234.208g/mol
Monoisotopic Mass:
234.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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