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Kynuramine Dihydrobromide

CAT: 0572-TRC-K660510-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-K660510-500MGSize:500 mg
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CAS Number
304-47-2
Synonyms
3-Amino-1-(2-aminophenyl)propan-1-one Dihydrobromide
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
O=C(C1=CC=CC=C1N)CCN.Br.Br
Molecular Formula
C9H12N2O . 2HBr
Molecular Weight
326.03
InChI
InChI=1S/C9H12N2O.2BrH/c10-6-5-9(12)7-3-1-2-4-8(7)11;;/h1-4H,5-6,10-11H2;2*1H
Additionnal Information
IUPAC name: 3-amino-1-(2-aminophenyl)propan-1-one dihydrobromide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-Amino-1-(2-aminophenyl)propan-1-one--hydrogen bromide (1/1)
CAS Number304-47-2
PubChem CID16219543
IUPAC Name3-amino-1-(2-aminophenyl)propan-1-one;hydrobromide
Molecular FormulaC9H13BrN2O
Molecular Weight245.12
Topological Polar Surface Area69.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity159
SMILES
C1=CC=C(C(=C1)C(=O)CCN)N.Br
InChI
InChI=1S/C9H12N2O.BrH/c10-6-5-9(12)7-3-1-2-4-8(7)11;/h1-4H,5-6,10-11H2;1H
InChIKey
YUPVVZSYBUIDQR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Amino-1-(2-aminophenyl)propan-1-one--hydrogen bromide (1/1)
CAS: 304-47-2
CID: 16219543
Formula: C9H13BrN2O
MW: 245.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.12
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass244.02113
Monoisotopic Mass244.02113
Topological Polar Surface Area69.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity159
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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