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183322-17-0 | Benzoic acid, 2-amino-4,5-bis(2-methoxyethoxy)-, ethyl ester, hydrochloride (1:1)
CAS No: 183322-17-0 Catalog No: AG0027HT MDL No:MFCD18206207
Product Description
Catalog Number:
AG0027HT
Chemical Name:
Benzoic acid, 2-amino-4,5-bis(2-methoxyethoxy)-, ethyl ester, hydrochloride (1:1)
CAS Number:
183322-17-0
Molecular Formula:
C15H24ClNO6
Molecular Weight:
349.8072
MDL Number:
MFCD18206207
IUPAC Name:
ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate;hydrochloride
InChI:
InChI=1S/C15H23NO6.ClH/c1-4-20-15(17)11-9-13(21-7-5-18-2)14(10-12(11)16)22-8-6-19-3;/h9-10H,4-8,16H2,1-3H3;1H
InChI Key:
CVAXGYHQKOQSDV-UHFFFAOYSA-N
SMILES:
COCCOc1cc(C(=O)OCC)c(cc1OCCOC)N.Cl
EC Number:
605-992-4
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.129g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
349.808g/mol
Monoisotopic Mass:
349.129g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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