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102366-70-1 | Benzoic acid, 4-amino-2-hydroxy-, 3-(diethylamino)propyl ester, phosphate (1:1) (salt) (9CI)
CAS No: 102366-70-1 Catalog No: AG00079O MDL No:
Product Description
Catalog Number:
AG00079O
Chemical Name:
Benzoic acid, 4-amino-2-hydroxy-, 3-(diethylamino)propyl ester, phosphate (1:1) (salt) (9CI)
CAS Number:
102366-70-1
Molecular Formula:
C14H25N2O6P
Molecular Weight:
348.3319
IUPAC Name:
3-(diethylamino)propyl 4-amino-2-hydroxybenzoate;hydrogen phosphate
InChI:
InChI=1S/C14H22N2O3.H3O4P/c1-3-16(4-2)8-5-9-19-14(18)12-7-6-11(15)10-13(12)17;1-5(2,3)4/h6-7,10,17H,3-5,8-9,15H2,1-2H3;(H3,1,2,3,4)/p-2
InChI Key:
SPTDFHQRCNDSHI-UHFFFAOYSA-L
SMILES:
OP(=O)O.CCN(CCCOC(=O)c1ccc(cc1O)N)CC
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.124g/mol
Formal Charge:
-2
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
362.319g/mol
Monoisotopic Mass:
362.124g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
159A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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