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1400W dihydrochloride

CAT: 0607-B6730-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0607-B6730-100Size:100 mg
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Description
INOS inhibitor,potent and highly selective
CAS Number
214358-33-5
Product Name Alternative
(E)-N'-(3-(aminomethyl)benzyl)acetimidamide dihydrochloride
Field of Research
Others iNOS
Purity
0.98
Solubility
≥25 mg/mL in DMSO; insoluble in EtOH; ≥23.2 mg/mL in H2O
Smiles
NCC1=CC(C/N=C(C)/N)=CC=C1.Cl.Cl
Molecular Formula
C10H15N3·2HCl
Molecular Weight
250.17
Shipping Conditions
Room Temperature
Storage Conditions
Desiccate at RT.

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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