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1397219-81-6 | Pyrazolo[1,5-a]pyrimidine-5,7-diamine, N5-(6-aminohexyl)-3-(1-methylethyl)-N7-(phenylmethyl)-, hydrochloride (1:1)
CAS No: 1397219-81-6 Catalog No: AG001BLI MDL No:
Product Description
Catalog Number:
AG001BLI
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-5,7-diamine, N5-(6-aminohexyl)-3-(1-methylethyl)-N7-(phenylmethyl)-, hydrochloride (1:1)
CAS Number:
1397219-81-6
Molecular Formula:
C22H33ClN6
Molecular Weight:
416.9906
IUPAC Name:
5-N-(6-aminohexyl)-7-N-benzyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;hydrochloride
InChI:
InChI=1S/C22H32N6.ClH/c1-17(2)19-16-26-28-21(25-15-18-10-6-5-7-11-18)14-20(27-22(19)28)24-13-9-4-3-8-12-23;/h5-7,10-11,14,16-17,25H,3-4,8-9,12-13,15,23H2,1-2H3,(H,24,27);1H
InChI Key:
NVIJWMOQODWNFN-UHFFFAOYSA-N
SMILES:
NCCCCCCNc1cc(NCc2ccccc2)n2c(n1)c(cn2)C(C)C.Cl
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.246g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
416.998g/mol
Monoisotopic Mass:
416.246g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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