Ethyl 3-oxo-8-azabicyclo(3.2.1)octane-8-carboxylate

HCID 401882
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Basic information

CAS
32499-64-2
Standard SMILES
CCOC(=O)N1C2CCC1CC(=O)C2
InChIKey
ANEJUHJDPGTVIO-UHFFFAOYSA-N
Molecular formula
C10H15NO3
Average molar mass
197.23 g/mol
Monoisotopic mass
197.10519334

Names & identifiers

Preferred name
Ethyl 3-oxo-8-azabicyclo(3.2.1)octane-8-carboxylate
IUPAC
ethyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
English name
N-Carbethoxy-4-tropinone
Molecular formula
C10H15NO3
Molecular weight
197.23

Names & synonyms

32499-64-2ethyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylateDTXSID50328024Ethyl 3-oxo-8-azabicyclo(3.2.1)octane-8-carboxylateRefChem:1084877DTXCID20279135N-(Ethoxycarbonyl)nortropinoneN-Carbethoxy-4-nortropinoneN-Carbethoxy-4-tropinoneMFCD000781718-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-oxo-, ethyl ester8-(Ethoxycarbonyl)-8-azabicyclo[3.2.1]octan-3-one
Show more names
Atropine Impurity 86n-(carboethoxy)tropinoneN-(CARBOETHOXY)NORTROPINONEN-(ETHOXYCARBONYL)TROPINONEEthyl 3-Oxo-8-Azabicyclo(3.N-CARBETHOXY-4-TROPINONE,98%N-(ETHOXYCAZBONYL)NORTROPINONEN-(Ethoxycarbonyl)tropinone,99%
3-oxo-8-aza-bicyclo[3.2.1]octane-8-carboxylic acid ethyl ester8-Ethoxycarbonyl-8-azabicyclo[3.2.1)octane-3-one8-Ethoxycarbonyl-8-azabicyclo[3.2.1]octane-3-oneNSC715574N-Carbethoxynortropinone3-Oxo-8-azabicyclo[3.2.1]octane-8-carboxylic acid ethyl ester8-carbethoxynortropan-3-oneSCHEMBL1016674

Database identifiers

CAS
32499-64-2
PubChem CID
401882
DTXSID
DTXSID50328024
Nikkaji
J364.486C

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
46.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
14

Physicochemical properties

Boiling point
152 · 152-153°C 11mm
Density
1.1575 · 1.1575 (rough estimate)
refractive index
1.4876 · 1.4876-1.4896
Flash point
152 · 152-153°C/11mm
storage temp.
Sealed in dry,Room Temperature
pka
-1.66 · -1.66±0.20(Predicted)

Safety & regulation

Safety data

hs_code
29399990
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
24/25
Hazard statements
H302-H315-H319
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers75 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Related reactions

24 records
New reaction record

Compound notes

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