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1597-00-8 | 2,4,6-Pyrimidinetriamine, 5-(4-phenylbutyl)-
CAS No: 1597-00-8 Catalog No: AG001RBR MDL No:
Product Description
Catalog Number:
AG001RBR
Chemical Name:
2,4,6-Pyrimidinetriamine, 5-(4-phenylbutyl)-
CAS Number:
1597-00-8
Molecular Formula:
C14H19N5
Molecular Weight:
257.3342
IUPAC Name:
5-(4-phenylbutyl)pyrimidine-2,4,6-triamine
InChI:
InChI=1S/C14H19N5/c15-12-11(13(16)19-14(17)18-12)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H6,15,16,17,18,19)
InChI Key:
XDVRXWVIQZDMRG-UHFFFAOYSA-N
SMILES:
Nc1nc(N)c(c(n1)N)CCCCc1ccccc1
UNII:
6LJ97GCD83
NSC Number:
89818
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.164g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
257.341g/mol
Monoisotopic Mass:
257.164g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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