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88967-76-4 | 2-Propenamide, N-[3-[(4-amino-1,3,5-triazin-2-yl)amino]phenyl]-
CAS No: 88967-76-4 Catalog No: AG0046YL MDL No:
Product Description
Catalog Number:
AG0046YL
Chemical Name:
2-Propenamide, N-[3-[(4-amino-1,3,5-triazin-2-yl)amino]phenyl]-
CAS Number:
88967-76-4
Molecular Formula:
C12H12N6O
Molecular Weight:
256.2633
IUPAC Name:
N-[3-[(4-amino-1,3,5-triazin-2-yl)amino]phenyl]prop-2-enamide
InChI:
InChI=1S/C12H12N6O/c1-2-10(19)16-8-4-3-5-9(6-8)17-12-15-7-14-11(13)18-12/h2-7H,1H2,(H,16,19)(H3,13,14,15,17,18)
InChI Key:
UQZYXPTWOCNAJN-UHFFFAOYSA-N
SMILES:
C=CC(=O)Nc1cccc(c1)Nc1ncnc(n1)N
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.107g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
256.269g/mol
Monoisotopic Mass:
256.107g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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