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81854-83-3 | 4-(4-METHOXYPHENYL)-6-PROP-1-EN-2-YL-1,3,5-TRIAZIN-2-AMINE
CAS No: 81854-83-3 Catalog No: AG00567K MDL No:
Product Description
Catalog Number:
AG00567K
Chemical Name:
4-(4-METHOXYPHENYL)-6-PROP-1-EN-2-YL-1,3,5-TRIAZIN-2-AMINE
CAS Number:
81854-83-3
Molecular Formula:
C13H14N4O
Molecular Weight:
242.2765
IUPAC Name:
4-(4-methoxyphenyl)-6-prop-1-en-2-yl-1,3,5-triazin-2-amine
InChI:
InChI=1S/C13H14N4O/c1-8(2)11-15-12(17-13(14)16-11)9-4-6-10(18-3)7-5-9/h4-7H,1H2,2-3H3,(H2,14,15,16,17)
InChI Key:
ADKDPSXQUOIGSQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc(N)nc(n1)C(=C)C
NSC Number:
363621
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.117g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.282g/mol
Monoisotopic Mass:
242.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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