403164
4-Azatricyclo[4.3.1.13,8]undecan-5-one
98%
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About This Item
Empirical Formula (Hill Notation):
C10H15NO
CAS Number:
Molecular Weight:
165.23
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
98%
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+
SMILES string
O=C1N[C@H]2C[C@@H]3C[C@H](C2)C[C@H]1C3
InChI key
OKDJIRNQPPBDKJ-SPJNRGJMSA-N
assay
98%
mp
316-318 °C (lit.)
solubility
chloroform: 2.5%, clear, colorless
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.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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Structure of 4-azatricyclo [4.3. 1.13, 8] undecan-5-one (homoazaadamantanone).
Symersky J, et al.
Acta Crystallographica Section C, Structural Chemistry, 42(1), 76-78 (1986)
The Beckmann rearrangement of adamantanone oxime.
Korsloot JG and Keizer VG.
Tetrahedron Letters, 10(40), 3517-3520 (1969)
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