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17740-29-3 | Benzoic acid, 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)-, ethyl ester
CAS No: 17740-29-3 Catalog No: AG0025AG MDL No:
Product Description
Catalog Number:
AG0025AG
Chemical Name:
Benzoic acid, 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)-, ethyl ester
CAS Number:
17740-29-3
Molecular Formula:
C14H19N5O2
Molecular Weight:
289.3330
IUPAC Name:
ethyl 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoate
InChI:
InChI=1S/C14H19N5O2/c1-4-21-11(20)9-5-7-10(8-6-9)19-13(16)17-12(15)18-14(19,2)3/h5-8H,4H2,1-3H3,(H4,15,16,17,18)
InChI Key:
IGQDOFBDHKOXGN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)N1C(=NC(=NC1(C)C)N)N
NSC Number:
210969
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.154g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.339g/mol
Monoisotopic Mass:
289.154g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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