Cycloheptyl isocyanide

CAT: 0926-JFA42007-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-JFA42007-01Size:50 mg

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CAS Number

134420-07-8

MDL Number

MFCD02664622

Smiles

[C-]#[N+]C1CCCCCC1

Molecular Formula

C8H13N

Molecular Weight

123.2 g/mol

Controlled

Chemical Information

Cycloheptyl isocyanide

CAS Number	134420-07-8
PubChem CID	2757987
IUPAC Name	isocyanocycloheptane
Molecular Formula	C8H13N
Molecular Weight	123.20
XLogP	2.2
Topological Polar Surface Area	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	112

SMILES

[C-]#[N+]C1CCCCCC1

InChI

InChI=1S/C8H13N/c1-9-8-6-4-2-3-5-7-8/h8H,2-7H2

InChIKey

BMPCFAVGGPXHFI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 134420-07-8

CID: 2757987

Formula: C8H13N

MW: 123.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	123.20
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	123.104799419
Monoisotopic Mass	123.104799419
Topological Polar Surface Area	4.4 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	112
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
FC60768-01	Cyclopentyl Isocyanide
YRB97167-01	1-Cyclohexyl-1-tosylmethyl isocyanide
GDA54216	Cycloheptyl isothiocyanate
IHA20925-01	2-Iodophenyl isocyanide
FP178937-01	Phenyl isocyanide dichloride
TFA06389-01	4-Ethylphenyl isocyanide
FP159664-01	1-Pentyl isocyanide
VBA80660	N-Cycloheptyl-N-ethylamine
TEA43190-01	3-Cycloheptyl-3-oxopropanenitrile
AAC59469-01	1-Cycloheptyl-1H-pyrazole

Catalog	Name
OR905473-01	Cycloheptyl isocyanide
sc-285321	Cycloheptyl isothiocyanate
TRC-T667500-5G	Tosylmethyl Isocyanide
sc-252429A	Benzyl isocyanide
OR905550-01	Diphenylmethyl isocyanide
sc-364351	Cycloheptyl isocyanate
sc-239609	Cycloheptyl cyanide
C30000-01	Cycloheptyl chloride
sc-257272	Cyclohexyl isocyanide
OR480808	Methylbenzyl isocyanide