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Domoxin

CAT: 0013-GTR19210950-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210950-01Size:25 mg
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Description
Domoxin
CAS Number
61-74-5
Smiles
C (N (CC1=CC=CC=C1) N) C2OC=3C (OC2) =CC=CC3
Molecular Formula
C16H18N2O2
Molecular Weight
270.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Domoxin
CAS Number61-74-5
PubChem CID208853
IUPAC Name1-benzyl-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)hydrazine
Molecular FormulaC16H18N2O2
Molecular Weight270.33
XLogP2.5
Topological Polar Surface Area47.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity294
SMILES
C1C(OC2=CC=CC=C2O1)CN(CC3=CC=CC=C3)N
InChI
InChI=1S/C16H18N2O2/c17-18(10-13-6-2-1-3-7-13)11-14-12-19-15-8-4-5-9-16(15)20-14/h1-9,14H,10-12,17H2
InChIKey
IXTXYSAWZICAPV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Domoxin
CAS: 61-74-5
CID: 208853
Formula: C16H18N2O2
MW: 270.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.33
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass270.136827821
Monoisotopic Mass270.136827821
Topological Polar Surface Area47.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity294
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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