Butyl isocyanide

CAT: 0024-sc-257203Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-257203Size:1 g

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CAS Number

2769-64-4

Chemical Information

Butyl isocyanide

CAS Number	2769-64-4
PubChem CID	76008
IUPAC Name	1-isocyanobutane
Molecular Formula	C5H9N
Molecular Weight	83.13
XLogP	1.2
Topological Polar Surface Area	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	6
Formal Charge	0
Complexity	57

SMILES

CCCC[N+]#[C-]

InChI

InChI=1S/C5H9N/c1-3-4-5-6-2/h3-5H2,1H3

InChIKey

FSBLVBBRXSCOKU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2769-64-4

CID: 76008

Formula: C5H9N

MW: 83.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	83.13
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	83.073499291
Monoisotopic Mass	83.073499291
Topological Polar Surface Area	4.4 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	57.6
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

Catalog	Name
sc-252429A	Benzyl isocyanide
sc-252429	Benzyl isocyanide
sc-257272	Cyclohexyl isocyanide
sc-226723	4-Methoxyphenyl isocyanide
sc-230619A	2-Pentyl isocyanide
sc-229198	(S) - (-) -α-Methylbenzyl isocyanide
sc-255408	P-Toluenesulfonylmethyl isocyanide
sc-251368	(Trimethylsilyl) methyl isocyanide
sc-225505	2-Naphthyl isocyanide
sc-230619	2-Pentyl isocyanide