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4-Chloro Perazine-d8

CAT: 0572-TRC-C374912-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C374912-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1346600-16-5
Hazard Statement
No Data Available
Smiles
[2H]C1([2H])N(C)C([2H])([2H])C([2H])([2H])N(CCCN2c3ccccc3Sc4c(Cl)cccc24)C1([2H])[2H]
Molecular Formula
C20 D8 H16 Cl N3 S
Molecular Weight
381.992
InChI
InChI=1S/C20H24ClN3S/c1-22-12-14-23(15-13-22)10-5-11-24-17-7-2-3-9-19(17)25-20-16(21)6-4-8-18(20)24/h2-4,6-9H,5,10-15H2,1H3/i12D2,13D2,14D2,15D2
Additionnal Information
IUPAC name: 4-chloro-10-[3-(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-1-yl)propyl]phenothiazine
Shipping Conditions
Room Temperature

Chemical Information

4-Chloro Perazine-d8
CAS Number1346600-16-5
PubChem CID71314764
IUPAC Name4-chloro-10-[3-(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-1-yl)propyl]phenothiazine
Molecular FormulaC20H24ClN3S
Molecular Weight382.0
XLogP4.8
Topological Polar Surface Area35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity429
SMILES
[2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])CCCN2C3=C(C(=CC=C3)Cl)SC4=CC=CC=C42)([2H])[2H])[2H]
InChI
InChI=1S/C20H24ClN3S/c1-22-12-14-23(15-13-22)10-5-11-24-17-7-2-3-9-19(17)25-20-16(21)6-4-8-18(20)24/h2-4,6-9H,5,10-15H2,1H3/i12D2,13D2,14D2,15D2
InChIKey
FRPMPGQTRXUECE-DHNBGMNGSA-N
Chemical Structure
2D Structure
2D structure of 4-Chloro Perazine-d8
CAS: 1346600-16-5
CID: 71314764
Formula: C20H24ClN3S
MW: 382.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.0
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass381.1881606
Monoisotopic Mass381.1881606
Topological Polar Surface Area35 Ų
Heavy Atom Count25
Formal Charge0
Complexity429
Isotope Atom Count8
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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