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Nicotinamide-13C3,15N

CAT: 0572-TRC-V125450-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-V125450-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2117346-85-5
Hazard Statement
No Data Available
Smiles
N[13C](=O)c1[13cH][15n][13cH]cc1
Molecular Formula
13C3 C3 H6 15N N O
Molecular Weight
126.096
InChI
InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)/i3+1,4+1,6+1,8+1
Additionnal Information
IUPAC name: (2,6-13C2,115N)pyridine-3-(13C)carboxamide

Chemical Information

Nicotinamide-15N,13C3
CAS Number2117346-85-5
PubChem CID124203111
IUPAC Name(2,6-13C2,115N)pyridine-3-carboxamide
Molecular FormulaC6H6N2O
Molecular Weight126.10
XLogP-0.4
Topological Polar Surface Area56
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity114
SMILES
C1=CC(=[13CH][15N]=[13CH]1)[13C](=O)N
InChI
InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)/i3+1,4+1,6+1,8+1
InChIKey
DFPAKSUCGFBDDF-DNUYGDBSSA-N
Chemical Structure
2D Structure
2D structure of Nicotinamide-15N,13C3
CAS: 2117346-85-5
CID: 124203111
Formula: C6H6N2O
MW: 126.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.10
XLogP3-0.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass126.05511222
Monoisotopic Mass126.05511222
Topological Polar Surface Area56 Ų
Heavy Atom Count9
Formal Charge0
Complexity114
Isotope Atom Count4
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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