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70650-60-1 | 1,3,5-Triazine-2,4-diamine, 1-(3-hexylphenyl)-1,6-dihydro-6,6-dimethyl-
CAS No: 70650-60-1 Catalog No: AG005H6Y MDL No:
Product Description
Catalog Number:
AG005H6Y
Chemical Name:
1,3,5-Triazine-2,4-diamine, 1-(3-hexylphenyl)-1,6-dihydro-6,6-dimethyl-
CAS Number:
70650-60-1
Molecular Formula:
C17H27N5
Molecular Weight:
301.4298
IUPAC Name:
1-(3-hexylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C17H27N5/c1-4-5-6-7-9-13-10-8-11-14(12-13)22-16(19)20-15(18)21-17(22,2)3/h8,10-12H,4-7,9H2,1-3H3,(H4,18,19,20,21)
InChI Key:
JBQZDFMQAURRMI-UHFFFAOYSA-N
SMILES:
CCCCCCc1cccc(c1)N1C(=NC(=NC1(C)C)N)N
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.227g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.438g/mol
Monoisotopic Mass:
301.227g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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