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Perazine Dihydrochloride

CAT: 0024-sc-212537Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-212537Size:10 mg
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CAS Number
5317-37-3

Chemical Information

Perazine Dihydrochloride
CAS Number5317-37-3
PubChem CID199956
IUPAC Name10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine;dihydrochloride
Molecular FormulaC20H27Cl2N3S
Molecular Weight412.4
Topological Polar Surface Area35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity374
SMILES
CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=CC=CC=C42.Cl.Cl
InChI
InChI=1S/C20H25N3S.2ClH/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23;;/h2-5,7-10H,6,11-16H2,1H3;2*1H
InChIKey
GLLQXJNHQBYBCR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Perazine Dihydrochloride
CAS: 5317-37-3
CID: 199956
Formula: C20H27Cl2N3S
MW: 412.4
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight412.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass411.1302744
Monoisotopic Mass411.1302744
Topological Polar Surface Area35 Ų
Heavy Atom Count26
Formal Charge0
Complexity374
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes