1-Pentyl isocyanide

CAT: 0926-FP159664-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-FP159664-01Size:0.5 g

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CAS Number

18971-59-0

MDL Number

MFCD02664565

Smiles

CCCCC[N+]#[C-]

Molecular Formula

C6H11N

Molecular Weight

97.16 g/mol

Shipping Conditions

Dry Ice

Controlled

Chemical Information

1-Pentyl isocyanide

CAS Number	18971-59-0
PubChem CID	2756567
IUPAC Name	1-isocyanopentane
Molecular Formula	C6H11N
Molecular Weight	97.16
XLogP	1.7
Topological Polar Surface Area	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	7
Formal Charge	0
Complexity	67

SMILES

CCCCC[N+]#[C-]

InChI

InChI=1S/C6H11N/c1-3-4-5-6-7-2/h3-6H2,1H3

InChIKey

QVUBMHTYZLUXSP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18971-59-0

CID: 2756567

Formula: C6H11N

MW: 97.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	97.16
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	97.089149355
Monoisotopic Mass	97.089149355
Topological Polar Surface Area	4.4 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	67.5
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
YRB97167-01	1-Cyclohexyl-1-tosylmethyl isocyanide
ICA37981-01	1-Ethyl-1-tosylmethyl isocyanide
FC60768-01	Cyclopentyl Isocyanide
JFA42007-01	Cycloheptyl isocyanide
FT02696-01	1,1,3,3-Tetramethylbutyl isocyanide
FP178937-01	Phenyl isocyanide dichloride
IHA20925-01	2-Iodophenyl isocyanide
FP181271-01	3-Pentyl-1-octanol
TFA06389-01	4-Ethylphenyl isocyanide
UQB51865-01	(Pentan-2-yl) (pentyl) amine

Catalog	Name
410242-01	1-Pentyl Isocyanide discontinued
sc-230619A	2-Pentyl isocyanide
280971-01	1-Isopropyl-1-tosylmethyl isocyanide
TRC-C986260-100MG	1-Cyclohexyl-1-tosylmethyl Isocyanide
sc-287152	1-Methyl-1-tosylmethyl isocyanide
OR1064871-01	1-Cyclopentyl-1-tosylmethyl isocyanide
sc-287067A	1-Allyl-1-tosylmethyl isocyanide
OR905041	1- (4-Chlorophenyl) ethyl isocyanide
288313-01	(1-Phenyl-1-tosyl) methyl isocyanide
sc-253955	1,1,3,3-Tetramethylbutyl isocyanide