ChemicalBook--->CAS DataBase List--->22607-75-6

22607-75-6

22607-75-6 Structure

22607-75-6 Structure
IdentificationBack Directory
[Name]

4-AZATRICYCLO[4.3.1.1(3,8)]UNDECAN-5-ONE
[CAS]

22607-75-6
[Synonyms]

NSC 145164
AKOS BC-0498
4-AZAHOMOADAMANTAN-5-ONE
5-Azatricyclo[4.3.1.13,8]undecane-4-one
4-AZATRICYCLO[4.3.1.1(3,8)]UNDECAN-5-ONE
4-Azaazatricyclo[4.3.1.13,8]undecan-5-one
4-azatricyclo(4.3.1.1(sup3,8))undecan-5-one
[Molecular Formula]

C10H15NO
[MDL Number]

MFCD00154765
[MOL File]

22607-75-6.mol
[Molecular Weight]

165.23
Chemical PropertiesBack Directory
[Melting point ]

316-318 °C(lit.)
[Boiling point ]

344.0±11.0 °C(Predicted)
[density ]

1.103±0.06 g/cm3 (20 ºC 760 Torr)
[solubility ]

chloroform: soluble2.5%, clear, colorless
[pka]

15.95±0.20(Predicted)
[InChI]

1S/C10H15NO/c12-10-8-2-6-1-7(3-8)5-9(4-6)11-10/h6-9H,1-5H2,(H,11,12)/t6-,7+,8-,9+
[InChIKey]

OKDJIRNQPPBDKJ-SPJNRGJMSA-N
[SMILES]

O=C1N[C@H]2C[C@@H]3C[C@H](C2)C[C@H]1C3
[CAS DataBase Reference]

22607-75-6
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[RTECS ]

CM0732000
[HazardClass ]

IRRITANT
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

4-Azatricyclo[4.3.1.1]undecan-5-one is formed during the Beckman rearrangement of adamantanone oxime. Crystal structure of 4-azatricyclo[4.3.1.1]undecan-5-one (homoazaadamantanone) has been studied.
[General Description]

4-Azatricyclo[4.3.1.1]undecan-5-one is formed during the Beckman rearrangement of adamantanone oxime. Crystal structure of 4-azatricyclo[4.3.1.1]undecan-5-one (homoazaadamantanone) has been studied.
Spectrum DetailBack Directory
[Spectrum Detail]

4-AZATRICYCLO[4.3.1.1(3,8)]UNDECAN-5-ONE(22607-75-6)MS
4-AZATRICYCLO[4.3.1.1(3,8)]UNDECAN-5-ONE(22607-75-6)IR1
4-AZATRICYCLO[4.3.1.1(3,8)]UNDECAN-5-ONE(22607-75-6)IR2
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