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N-Benzylacetamidine (hydrobromide)

CAT: 0607-C3084-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-C3084-50Size:50 mg
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Description
iNOS inhibitor
CAS Number
186545-76-6
Product Name Alternative
N-(phenylmethyl)-ethanimidamide, monohydrobromide
Field of Research
Others iNOS
Purity
0.98
Form
A crystalline solid
Solubility
≤25mg/ml in ethanol;15mg/ml in DMSO;20mg/ml in dimethyl formamide
Smiles
CC(NCC1=CC=CC=C1)=N.Br
Molecular Formula
C9H12N2 · HBr
Molecular Weight
229.1
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

N-Benzylacetamidine Hydrobromide
CAS Number186545-76-6
PubChem CID25231659
IUPAC NameN'-benzylethanimidamide;hydrobromide
Molecular FormulaC9H13BrN2
Molecular Weight229.12
Topological Polar Surface Area38.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity134
SMILES
CC(=NCC1=CC=CC=C1)N.Br
InChI
InChI=1S/C9H12N2.BrH/c1-8(10)11-7-9-5-3-2-4-6-9;/h2-6H,7H2,1H3,(H2,10,11);1H
InChIKey
RUQJDXJQOUUQHG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Benzylacetamidine Hydrobromide
CAS: 186545-76-6
CID: 25231659
Formula: C9H13BrN2
MW: 229.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight229.12
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass228.02621
Monoisotopic Mass228.02621
Topological Polar Surface Area38.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity134
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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