Octahydro-2H-azonin-2-one

HCID 13632

Notes Reactions

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Basic information

CAS: 935-30-8
Standard SMILES: O=C1CCCCCCCN1
InChIKey: YDLSUFFXJYEVHW-UHFFFAOYSA-N
Molecular formula: C8H15NO
Average molar mass: 141.21 g/mol
Monoisotopic mass: 141.1153641

Overview

affects CNS activity

Names & identifiers

Preferred name: Octahydro-2H-azonin-2-one
IUPAC: azonan-2-one
English name: 2-AZACYCLONONANONE
Molecular formula: C8H15NO
Molecular weight: 141.21

Names & synonyms

2-Azacyclononanone935-30-8Octahydro-2H-azonin-2-oneDTXSID60239450RefChem:548321DTXCID80161941213-300-3azonan-2-oneCaprylolactamCapryllactamAzacyclononan-2-one8-Aminooctanoic acid lactam

Show more names

2-AzonanoneAza-2-cyclononanoneCapryloctam-Octalactamoctanolactamω-Octalactam1,8-OCTALACTAM

8-Octanelactam2H-AZONIN-2-ONE, OCTAHYDRO-2-PerhydroazoninoneCyclooctanone lactamOctamethylenimine, 2-oxo-1H-Azonin-2(3H)-one, hexahydro-MFCD000032731-Azacyclononan-2-one

Database identifiers

CAS: 935-30-8
PubChem CID: 13632
DTXSID: DTXSID60239450
ChEMBL: CHEMBL137132
EC Number: 213-300-3
Nikkaji: J143.884K

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 112

Experimental & physicochemical properties

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

LogP0.67

Physicochemical properties

Melting point: 74 · 74-76 °C(lit.)
Boiling point: 151 °C · 151 °C / 8mmHg
Density: 0.9938 · 0.9938 (rough estimate)
refractive index: 1.4811 · 1.4811 (estimate)
storage temp.: Refrigerator, under inert atmosphere
solubility: Soluble in methanol (almost transparency).
pka: 16.61 · 16.61±0.20(Predicted)
form: Solid
color: White to Off-White
BRN: 109775 · 109775
Stability: Hygroscopic
InChI: InChI=1S/C8H15NO/c10-8-6-4-2-1-3-5-7-9-8/h1-7H2,(H,9,10)
InChIKey: YDLSUFFXJYEVHW-UHFFFAOYSA-N
SMILES: N1CCCCCCCC1=O
CAS DataBase Reference: 935 · 935-30-8(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 36 · 36/37/39-26
WGK Germany: 3 · 3
RTECS: 1757000 · CO1757000
HS Code: 29337900 · 29337900
Storage Class: 13 · 13 - Non Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
rtecs: CO1757000
hs_code: 29337900
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 36/37/39-26
Storage Class: 13 - Non Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses2-Azacyclononanone has been used as an internal standard liquid chromatography-ultraviolet detection method for the determination of caprolactam in the aqueous food stimulant 3% acetic acid (w/v).

General Description2-Azacyclononanone forms complexes with hydrated lanthanides trifluoroacetate in ethanol. It reacts with mercury(II)acetate and erbium(III)nitrate in methanol to yield the heterocyclic complex .