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1774905-30-4 | 5-Chloro-2-(piperazin-1-yl)pyrimidine dihydrochloride
CAS No: 1774905-30-4 Catalog No: AG01F8BP MDL No:
Product Description
Catalog Number:
AG01F8BP
Chemical Name:
5-Chloro-2-(piperazin-1-yl)pyrimidine dihydrochloride
CAS Number:
1774905-30-4
Molecular Formula:
C8H13Cl3N4
Molecular Weight:
271.5746
IUPAC Name:
5-chloro-2-piperazin-1-ylpyrimidine;dihydrochloride
InChI:
InChI=1S/C8H11ClN4.2ClH/c9-7-5-11-8(12-6-7)13-3-1-10-2-4-13;;/h5-6,10H,1-4H2;2*1H
InChI Key:
NJAITXQYNUCBED-UHFFFAOYSA-N
SMILES:
Clc1cnc(nc1)N1CCNCC1.Cl.Cl
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.021g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
271.57g/mol
Monoisotopic Mass:
270.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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