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124638-99-9 | 1H-1,2,4-Triazole-3,5-diamine, 1-dodecyl-
CAS No: 124638-99-9 Catalog No: AG000MI6 MDL No:
Product Description
Catalog Number:
AG000MI6
Chemical Name:
1H-1,2,4-Triazole-3,5-diamine, 1-dodecyl-
CAS Number:
124638-99-9
Molecular Formula:
C14H29N5
Molecular Weight:
267.4136
IUPAC Name:
1-dodecyl-1,2,4-triazole-3,5-diamine
InChI:
InChI=1S/C14H29N5/c1-2-3-4-5-6-7-8-9-10-11-12-19-14(16)17-13(15)18-19/h2-12H2,1H3,(H4,15,16,17,18)
InChI Key:
UWNVDVNPQBGXLF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCn1nc(nc1N)N
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.242g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.421g/mol
Monoisotopic Mass:
267.242g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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