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N-Nitroso Betahistine

CAT: 0572-TRC-N869450-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N869450-50MGSize:50 mg
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CAS Number
32635-81-7
Synonyms
N-Methyl-N-nitroso-2-pyridineethanamine; N-Methyl-N-(2-(pyridin-2-yl)ethyl)nitrous amide
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
CN(CCc1ccccn1)N=O
Molecular Formula
C8 H11 N3 O
Molecular Weight
165.192
InChI
InChI=1S/C8H11N3O/c1-11(10-12)7-5-8-4-2-3-6-9-8/h2-4,6H,5,7H2,1H3
Additionnal Information
IUPAC name: N-methyl-N-[2-(2-pyridyl)ethyl]nitrous amide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

N-Nitroso Betahistine
CAS Number32635-81-7
PubChem CID165718968
IUPAC NameN-methyl-N-(2-pyridin-2-ylethyl)nitrous amide
Molecular FormulaC8H11N3O
Molecular Weight165.19
XLogP0.8
Topological Polar Surface Area45.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity140
SMILES
CN(CCC1=CC=CC=N1)N=O
InChI
InChI=1S/C8H11N3O/c1-11(10-12)7-5-8-4-2-3-6-9-8/h2-4,6H,5,7H2,1H3
InChIKey
RSPHCMYPFWSJIJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Nitroso Betahistine
CAS: 32635-81-7
CID: 165718968
Formula: C8H11N3O
MW: 165.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight165.19
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass165.090211983
Monoisotopic Mass165.090211983
Topological Polar Surface Area45.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity140
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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CS-P-08808N-Nitroso Betahistine
RM-B200808-01N-Nitroso-Betahistine
AR-B08242-01N-Nitroso Betahistine-d3
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AR-B06988-01N-Nitroso Betahistine Impurity 10
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AR-B05692-01N-Nitroso Betahistine EP Impurity C
AR-B06989-01N-Nitroso Betahistine Impurity 10-d5
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