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178376-16-4 | 2-Propenoic acid, 2-methyl-, 2-(dimethylamino)ethyl ester, phosphate (3:1)
CAS No: 178376-16-4 Catalog No: AG0025ZG MDL No:
Product Description
Catalog Number:
AG0025ZG
Chemical Name:
2-Propenoic acid, 2-methyl-, 2-(dimethylamino)ethyl ester, phosphate (3:1)
CAS Number:
178376-16-4
Molecular Formula:
C24H48N3O10P
Molecular Weight:
569.6258
IUPAC Name:
2-(dimethylamino)ethyl 2-methylprop-2-enoate;phosphoric acid
InChI:
InChI=1S/3C8H15NO2.H3O4P/c3*1-7(2)8(10)11-6-5-9(3)4;1-5(2,3)4/h3*1,5-6H2,2-4H3;(H3,1,2,3,4)
InChI Key:
SKRUQSVXPIZSAI-UHFFFAOYSA-N
SMILES:
OP(=O)(O)O.CN(CCOC(=O)C(=C)C)C.CN(CCOC(=O)C(=C)C)C.CN(CCOC(=O)C(=C)C)C
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
569.308g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
569.633g/mol
Monoisotopic Mass:
569.308g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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