Pseudopelletierine

Catalog Number	ACM552705-1
CAS Number	552-70-5
Description	Pseudopelletierine analytical standard provided with chromatographic purity, to be used as reference material for qualitative determination.
Synonyms	(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one;9-Azabicyclo[3.3.1]nonan-3-one,9-methyl-;9-Methyl-3-granataninone;9-Methyl-3-granatanone;Granatan-3-one;NSC 116056;Pseudopelletierin;Pseudopunicine;pseudo-Pelletierine
IUPAC Name	9-methyl-9-azabicyclo[3.3.1]nonan-3-one. Isotope Atom Count : 0.
Molecular Weight	153.23g/mol
Molecular Formula	C9H15NO
Canonical SMILES	CN1[C@H]2CCC[C@@H]1CC(=O)C2
InChI	InChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3/t7-,8+
InChI Key	InChIKey=RHWSKVCZXBAWLZ-OCAPTIKFSA-N
Boiling Point	246°C
Melting Point	46°C
Flash Point	46°C
Purity	>98.0%(GC)(T)
Appearance	Powder
Storage	<+8°C. In dry and dark place. Store under inert gas
Complexity	162
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
EC Number	209-021-1
Exact Mass	153.115g/mol
Formal Charge	0
Hazard Statements	H315: Causes skin irritation. H319: Causes serious eye irritation. H335: May cause respiratory irritation.P260: Do not breathe dust, fumes, gas, mist, vapours, spray. P280: Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing. P337+P313: If eye irritation persists: Get medical advice/attention.
Heavy Atom Count	11
HS Code	2939990000
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
MDL Number	MFCD00078161
Monoisotopic Mass	153.115g/mol
Rotatable Bond Count	0
Signal Word	Warning
Topological Polar Surface Area	20.3A^2.
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0

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