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PTZ-256

CAT: 0013-GTR19193014-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193014-01Size:25 mg
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Description
PTZ-256
CAS Number
2095-21-8
Smiles
C (CCN) N1C=2C (SC=3C1=CC=CC3) =CC=CC2
Molecular Formula
C15H16N2S
Molecular Weight
256.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(10H-phenothiazin-10-yl)propan-1-amine

Dinorpromazine is a member of phenothiazines.

CAS Number2095-21-8
PubChem CID11079240
IUPAC Name3-phenothiazin-10-ylpropan-1-amine
Molecular FormulaC15H16N2S
Molecular Weight256.4
XLogP3.6
Topological Polar Surface Area54.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity249
SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCCN
InChI
InChI=1S/C15H16N2S/c16-10-5-11-17-12-6-1-3-8-14(12)18-15-9-4-2-7-13(15)17/h1-4,6-9H,5,10-11,16H2
InChIKey
OJPDZEFBOMRMTK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(10H-phenothiazin-10-yl)propan-1-amine
CAS: 2095-21-8
CID: 11079240
Formula: C15H16N2S
MW: 256.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight256.4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass256.10341969
Monoisotopic Mass256.10341969
Topological Polar Surface Area54.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity249
Isotope Atom Count0
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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