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76327-79-2 | 1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-dioctyl-
CAS No: 76327-79-2 Catalog No: AG005E26 MDL No:
Product Description
Catalog Number:
AG005E26
Chemical Name:
1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-dioctyl-
CAS Number:
76327-79-2
Molecular Formula:
C19H36ClN5
Molecular Weight:
369.9756
IUPAC Name:
6-chloro-2-N,4-N-dioctyl-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C19H36ClN5/c1-3-5-7-9-11-13-15-21-18-23-17(20)24-19(25-18)22-16-14-12-10-8-6-4-2/h3-16H2,1-2H3,(H2,21,22,23,24,25)
InChI Key:
BWCSJJPMLIFDSM-UHFFFAOYSA-N
SMILES:
CCCCCCCCNc1nc(NCCCCCCCC)nc(n1)Cl
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.266g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
369.982g/mol
Monoisotopic Mass:
369.266g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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