CAS 135908-45-1 Ethyl 4-aminobicyclo[2.2.2]octane-1-carboxylate (HCID 23149693)

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Basic information

CAS: 135908-45-1
Standard SMILES: CCOC(=O)C12CCC(N)(CC1)CC2
InChIKey: QUVAHJOADQNEIP-UHFFFAOYSA-N
Molecular formula: C11H19NO2
Average molar mass: 197.27 g/mol
Monoisotopic mass: 197.14157885

Names & identifiers

Preferred name: Ethyl 4-aminobicyclo[2.2.2]octane-1-carboxylate
IUPAC: ethyl 4-aminobicyclo[2.2.2]octane-1-carboxylate
English name: Bicyclo[2.2.2]octane-1-carboxylic acid, 4-aMino-, ethyl ester
Molecular formula: C11H19NO2
Molecular weight: 197.27

Names & synonyms

ethyl 4-aminobicyclo[2.2.2]octane-1-carboxylate135908-45-1Bicyclo[2.2.2]octane-1-carboxylic acid, 4-amino-, ethyl esterMFCD20702136SCHEMBL1306329QUVAHJOADQNEIP-UHFFFAOYSA-NDTXSID601181605SB13271DA-21320CS-0092267D75332EN300-2848707

Show more names

4-amino-Bicyclo[2.2.2]octane-1-carboxylic acid ethyl ester

ethyl4-aminobicyclo[2.2.2]octane-1-carboxylate

Database identifiers

CAS: 135908-45-1
PubChem CID: 23149693
DTXSID: DTXSID601181605
Nikkaji: J2.782.002F

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 225

Physicochemical properties

storage temp.: Store at Room Tem.
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: 2922498590 · 2922498590

Safety & regulation

Safety data

hs_code: 2922498590
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