Acetonitrile-13C2

CAT: 0024-sc-227198Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-227198Size:250 mg

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CAS Number

1722-25-4

Chemical Information

Acetonitrile-13C2

CAS Number	1722-25-4
PubChem CID	11457648
IUPAC Name	acetonitrile
Molecular Formula	C2H3N
Molecular Weight	43.037
XLogP	0
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	3
Formal Charge	0
Complexity	29

SMILES

[13CH3][13C]#N

InChI

InChI=1S/C2H3N/c1-2-3/h1H3/i1+1,2+1

InChIKey

WEVYAHXRMPXWCK-ZDOIIHCHSA-N

Chemical Structure

2D Structure

CAS: 1722-25-4

CID: 11457648

Formula: C2H3N

MW: 43.037

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	43.037
XLogP3	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	43.033258771
Monoisotopic Mass	43.033258771
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	3
Formal Charge	0
Complexity	29.3
Isotope Atom Count	2
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TRC-A163897-1G	Acetonitrile-13C2, d3
CS-T-103278	Acetonitrile-13C2-d3
TRC-B183582-5MG	Benz[a]anthracene-7-acetonitrile-13C2
TRC-KIT7325-5X1ML	Testosterone-3,4-13C2 (1.0mg/ml in Acetonitrile)
AR-P30879-01	Perfluorooctanoic Acid-13C2 (PFOA-13C2)
TRC-A163890-50ML	Acetonitrile
AR-C08745-01	Cyclosporin A-13C2-d4 (Cyclosporine-13C2-d4)