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NBN : Summary

Code

NBN

One-letter code

X

Molecule name

N-BUTYL ISOCYANIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 1-isocyanobutane
OpenEye OEToolkits 1.5.0 1-isocyanobutane

Formula

C5 H9 N

Formal charge

0

Molecular weight

83.132 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 butyl isocyanide
SMILES CACTVS 3.341 CCCC[N+]#[C-]
SMILES OpenEye OEToolkits 1.5.0 CCCC[N+]#[C-]
Canonical SMILES CACTVS 3.341 CCCC[N+]#[C-]
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCC[N+]#[C-]

IUPAC InChI

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

IUPAC InChI key

FSBLVBBRXSCOKU-UHFFFAOYSA-N
NBN

wwPDB Information

Atom count

15 (6 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned