1,4-Dioxa-8-azaspiro(4.5)decane

HCID 67435CAS 177-11-7

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Basic information

Standard SMILES: C1CC2(CCN1)OCCO2
InChIKey: KPKNTUUIEVXMOH-UHFFFAOYSA-N
Molecular formula: C7H13NO2
Average molar mass: 143.18 g/mol
Monoisotopic mass: 143.09462866

Names & identifiers

Preferred name: 1,4-Dioxa-8-azaspiro(4.5)decane
IUPAC: 1,4-dioxa-8-azaspiro[4.5]decane
English name: 1,4-Dioxa-8-azaspiro[4.5]decane
Molecular formula: C7H13NO2
Molecular weight: 143.18

Names & synonyms

1,4-Dioxa-8-azaspiro[4.5]decane177-11-71,4-Dioxa-8-azaspiro(4.5)decaneEINECS 205-868-6DTXSID801702351,4-dioxa-8-azaspiro{4.5}decaneRefChem:416889DTXCID2092726205-868-64-Piperidone ethylene ketal4-Piperidinone ethyl ketal4-Piperidone ethylene acetal

Show more names

8-Aza-1,4-dioxaspiro[4.5]decaneAKOS BBS-00003616Pibrentasvir Impurity 18PIPERIDONE 4-ETHYLENEKETAL4-Piperidone ethylene glycol4,4-(Ethylenedioxy)piperidine4-PIPERIDINONE ETHYLENE KETAL

1,4-Dioxa-8-azaspiro[4,5]decaneMFCD00005976PIPERIDIN-4-ONE ETHYLENE KETALPiperidone-4-ethyleneketal1,4-dioxa-8-aza-spiro[4.5]decane1,4-dioxa-8-azaspiro(4,5)decane1,4-dioxa-8-aza-spiro{4.5}decane4-Piperidone-ethylene ketal

Database identifiers

CAS: 177-11-7
PubChem CID: 67435
DTXSID: DTXSID80170235
ChEMBL: CHEMBL3344301
UNII: Y7C9AGJ739
EC Number: 205-868-6
Nikkaji: J193.664F

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 30.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 113

Physicochemical properties

Boiling point: 108 · 108-111 °C26 mm Hg(lit.)
Density: 1.117 g/mL · 1.117 g/mL at 20 °C(lit.)
refractive index: 20 · n20/D 1.4819(lit.)
Flash point: 179 °F · 179 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: DCM, Ethyl Acetate, Methanol
form: Liquid
pka: 10.92 · 10.92±0.20(Predicted)
color: Clear colorless to yellow
Water Solubility: Soluble in water (Partly miscible).
Sensitive: Air Sensitive
BRN: 506799 · 506799
InChI: InChI=1S/C7H13NO2/c1-3-8-4-2-7(1)9-5-6-10-7/h8H,1-6H2
InChIKey: KPKNTUUIEVXMOH-UHFFFAOYSA-N
SMILES: O1C2(CCNCC2)OCC1
CAS DataBase Reference: 177 · 177-11-7(CAS DataBase Reference)
NIST Chemistry Reference: 1 · 1,4-Dioxa-8-azaspiro(4.5)decane(177-11-7)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-24/25
WGK Germany: 3 · 3
F: 10 · 10-34
Hazard Note: Irritant
HS Code: 29349990 · 29349990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

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 50 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.