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94133-85-4 | 4,5-Dihydro-2-(1,2,3,4-tetrahydro-1-naphthyl)-1H-imidazolium dihydrogen phosphate
CAS No: 94133-85-4 Catalog No: AG006R6A MDL No:
Product Description
Catalog Number:
AG006R6A
Chemical Name:
4,5-Dihydro-2-(1,2,3,4-tetrahydro-1-naphthyl)-1H-imidazolium dihydrogen phosphate
CAS Number:
94133-85-4
Molecular Formula:
C13H19N2O4P
Molecular Weight:
298.2747
IUPAC Name:
dihydrogen phosphate;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-3-ium
InChI:
InChI=1S/C13H16N2.H3O4P/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13;1-5(2,3)4/h1-2,4,6,12H,3,5,7-9H2,(H,14,15);(H3,1,2,3,4)
InChI Key:
HPGQQPUQEIRXHP-UHFFFAOYSA-N
SMILES:
C1CN=C([NH2+]1)C1CCCc2c1cccc2.[O-]P(=O)(O)O
EC Number:
302-749-1
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.108g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
298.279g/mol
Monoisotopic Mass:
298.108g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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