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102612-57-7 | Benzoic acid, 4-amino-2-methoxy-, 3-(diethylamino)propyl ester, phosphate (1:1)
CAS No: 102612-57-7 Catalog No: AG0007XK MDL No:
Product Description
Catalog Number:
AG0007XK
Chemical Name:
Benzoic acid, 4-amino-2-methoxy-, 3-(diethylamino)propyl ester, phosphate (1:1)
CAS Number:
102612-57-7
Molecular Formula:
C15H27N2O7P
Molecular Weight:
378.3578
IUPAC Name:
3-(diethylamino)propyl 4-amino-2-methoxybenzoate;phosphoric acid
InChI:
InChI=1S/C15H24N2O3.H3O4P/c1-4-17(5-2)9-6-10-20-15(18)13-8-7-12(16)11-14(13)19-3;1-5(2,3)4/h7-8,11H,4-6,9-10,16H2,1-3H3;(H3,1,2,3,4)
InChI Key:
YWXSSLOHUVPLED-UHFFFAOYSA-N
SMILES:
OP(=O)(O)O.CCN(CCCOC(=O)c1ccc(cc1OC)N)CC
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.156g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
378.362g/mol
Monoisotopic Mass:
378.156g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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