T89605
Tropinone
99%
Synonym(s):
8-Methyl-8-azabicyclo[3.2.1]octan-3-one
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About This Item
Empirical Formula (Hill Notation):
C8H13NO
CAS Number:
Molecular Weight:
139.19
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
208-530-6
Beilstein/REAXYS Number:
2329
MDL number:
Assay:
99%
InChI
1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7+
InChI key
QQXLDOJGLXJCSE-KNVOCYPGSA-N
SMILES string
CN1[C@@H]2CC[C@H]1CC(=O)C2
assay
99%
bp
113 °C/25 mmHg (lit.)
Quality Level
mp
40-44 °C (lit.)
storage temp.
2-8°C
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Related Categories
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Inhalation - Acute Tox. 4 Oral
Storage Class
11 - Combustible Solids
wgk
WGK 1
flash_point_f
194.0 °F - closed cup
flash_point_c
90 °C - closed cup
ppe
Eyeshields, Gloves, type N95 (US)
Regulatory Information
涉药品监管产品
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R Xu et al.
Journal of medicinal chemistry, 41(17), 3220-3231 (1998-08-14)
A number of O-alkynyloximes of tropinone and N-methyl-4-piperidinone have been synthesized and evaluated for muscarinic activity. The affinities of these oximes were tested in homogenates of cerebral cortex, heart, and submandibulary glands from rats using [3H]pirenzepine and [3H]-N-methylscopolamine as radioligands.
Some features of modern pharmacology.
V V Zakusov
Pharmacological research communications, 12(3), 233-238 (1980-03-01)
Emilio J Cocinero et al.
Physical chemistry chemical physics : PCCP, 12(23), 6076-6083 (2010-04-21)
The intrinsic conformational and structural properties of the tropinone azabicycle have been investigated in a supersonic jet expansion using rotational spectroscopy. The spectrum revealed the presence of equatorial and axial conformers originated by the inversion of the N-methyl group, with
María Isabel Rodríguez-Franco et al.
Bioorganic & medicinal chemistry, 11(10), 2263-2268 (2003-04-26)
The synthesis of O-propynyloximes of N-methylpiperidinone, 3-tropinone, and 3-quinuclidinone, containing several pyrazole frameworks is described, together with their muscarinic receptor affinities. Compounds derived from N-methylpiperidinone or 3-tropinone and N-(4-methoxybenzyl)- or N-(2,4,6-trimethylbenzoyl)pyrazole showed moderate activity for muscarinic receptors in the rat
Tropane alkaloid biosynthesis. A century old problem unresolved.
A J Humphrey et al.
Natural product reports, 18(5), 494-502 (2001-11-09)
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