Isocyanomethane

CAT: 0572-TRC-I289721-1GSize: 1 gDry Ice: NoHazardous: No

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CAT#:0572-TRC-I289721-1GSize:1 g

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CAS Number

593-75-9

Synonyms

Isoacetonitrile; Methyl Isonitrile

Hazard Statement

Harmful if swallowed.

Purity

>95% (GC)

Smiles

C[N+]#[C-]

Molecular Formula

C2H3N

Molecular Weight

41.05

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

Methyl isocyanide

Isocyanomethane is an isocyanide.

CAS Number	593-75-9
PubChem CID	11646
IUPAC Name	isocyanomethane
Molecular Formula	C2H3N
Molecular Weight	41.05
XLogP	0
Topological Polar Surface Area	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	3
Formal Charge	0
Complexity	29

SMILES

C[N+]#[C-]

InChI

InChI=1S/C2H3N/c1-3-2/h1H3

InChIKey

ZRKSVHFXTRFQFL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 593-75-9

CID: 11646

Formula: C2H3N

MW: 41.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	41.05
XLogP3	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	41.026549100
Monoisotopic Mass	41.026549100
Topological Polar Surface Area	4.4 Å²
Heavy Atom Count	3
Formal Charge	0
Complexity	29.3
Isotope Atom Count	0
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