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87739-87-5 | 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-nonylphenyl)-
CAS No: 87739-87-5 Catalog No: AG004LNT MDL No:
Product Description
Catalog Number:
AG004LNT
Chemical Name:
1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-nonylphenyl)-
CAS Number:
87739-87-5
Molecular Formula:
C20H33N5
Molecular Weight:
343.5095
IUPAC Name:
6,6-dimethyl-1-(4-nonylphenyl)-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C20H33N5/c1-4-5-6-7-8-9-10-11-16-12-14-17(15-13-16)25-19(22)23-18(21)24-20(25,2)3/h12-15H,4-11H2,1-3H3,(H4,21,22,23,24)
InChI Key:
ZUVIHSFXFDCJKH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCc1ccc(cc1)N1C(=NC(=NC1(C)C)N)N
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.274g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
343.519g/mol
Monoisotopic Mass:
343.274g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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