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1400W dihydrochloride

CAT: 0013-GTR19162767-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19162767-01Size:1 g
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Description
1400 W is a highly potent and selective inhibitor of inducible NOS2 (iNOS) .
CAS Number
214358-33-5
Purity
>98% (HPLC)
Solubility
DMSO:0.25 mg/ml; DMF :0.25 mg/ml; Ethanol :0.25 mg/ml: Water :100 mM
Smiles
CC (=NCC1=CC (=CC=C1) CN) N.Cl.Cl
Molecular Formula
C10H16ClN3
Molecular Weight
213.709
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

1400w Dihydrochloride
CAS Number214358-33-5
PubChem CID2733515
IUPAC NameN'-[[3-(aminomethyl)phenyl]methyl]ethanimidamide;dihydrochloride
Molecular FormulaC10H17Cl2N3
Molecular Weight250.17
Topological Polar Surface Area64.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity177
SMILES
CC(=NCC1=CC=CC(=C1)CN)N.Cl.Cl
InChI
InChI=1S/C10H15N3.2ClH/c1-8(12)13-7-10-4-2-3-9(5-10)6-11;;/h2-5H,6-7,11H2,1H3,(H2,12,13);2*1H
InChIKey
WDJHSQZCZGPGAA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1400w Dihydrochloride
CAS: 214358-33-5
CID: 2733515
Formula: C10H17Cl2N3
MW: 250.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.17
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass249.0799529
Monoisotopic Mass249.0799529
Topological Polar Surface Area64.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity177
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

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