9-Methyl-9-azabicyclo[3.3.1]nonan-3-one oxime

HCID 3219133CAS 6164-67-6

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Basic information

Standard SMILES: CN1C2CCCC1CC(=NO)C2
InChIKey: PUMZOLVVVUXXHJ-UHFFFAOYSA-N
Molecular formula: C9H16N2O
Average molar mass: 168.24 g/mol
Monoisotopic mass: 168.12626314

Names & identifiers

Preferred name: 9-Methyl-9-azabicyclo[3.3.1]nonan-3-one oxime
IUPAC: N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-ylidene)hydroxylamine
English name: (+/-)-Pseudopelletierine oxime
Molecular formula: C9H16N2O
Molecular weight: 168.24

Names & synonyms

6164-67-69-methyl-9-azabicyclo[3.3.1]nonan-3-one oximePseudopelletierine oximeN-(9-methyl-9-azabicyclo[3.3.1]nonan-3-ylidene)hydroxylamineMFCD03755545N-{9-methyl-9-azabicyclo[3.3.1]nonan-3-ylidene}hydroxylamine(+/-)-PSEUDOPELLETIERINE OXIME9-Azabicyclo[3.3.1]nonan-3-one, 9-methyl-, oxime, (+)-SCHEMBL2957850DTXSID30390461PUMZOLVVVUXXHJ-UHFFFAOYSA-NAKOS000797711

Show more names

Indisetron Impurity 11Granisetron Impurity 269-Methyl-9-azobicyclo[3.3.1]nonane-3-OXIME9-METHYL-9-AZABICYCLO[3,3,1]NONAN-3-ONEOXIME9-AZABICYCLO[3,3,1]NONAN-3-ONE-9-METHYL-OXIMEendo-9-methyl-9-azbicyclo[3,3,1]non-3-ylamine(1r,5s,z)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one oxime

AKOS024318800PB30067AS-18928SY011696CS-0049920ST50400759N-methyl-9-azabicyclo-[3.3.1]-nonan-3-one oxime3-(hydroxyimino)-9-methyl-9-azabicyclo[3.3.1]nonane

Database identifiers

CAS: 6164-67-6
PubChem CID: 3219133
DTXSID: DTXSID30390461

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 35.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 187

Physicochemical properties

Melting point: 126 · 126-127 ºC
Boiling point: 281 · 281 ºC
Density: 1.27 · 1.27
Flash point: 124 · 124 ºC
storage temp.: Store at Room Tem.
pka: 12.1 · 12.10±0.20(Predicted)
Appearance: light yellow solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
HS Code: 2933998090 · 2933998090

Safety & regulation

Safety data

hs_code: 2933998090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501