CAS 370881-43-9 benzyl (1S,5S)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate (HCID 23635906)

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Basic information

CAS: 370881-43-9
Standard SMILES: O=C(OCc1ccccc1)N1C[C@@H]2CN[C@@H]2C1
InChIKey: BCONCMOUSFKNCK-NWDGAFQWSA-N
Molecular formula: C13H16N2O2
Average molar mass: 232.28 g/mol
Monoisotopic mass: 232.12117775

Names & identifiers

Preferred name: benzyl (1S,5S)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate
IUPAC: benzyl (1S,5S)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate
English name: (S,S)-3-Cbz-3,6-diazabicyclo[3.2.0]heptane
Molecular formula: C13H16N2O2
Molecular weight: 232.28

Names & synonyms

370881-43-9(S,S)-3-CBZ-3,6-DIAZABICYCLO[3.2.0]HEPTANEbenzyl (1S,5S)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate(1S,5S)-benzyl 3,6-diazabicyclo[3.2.0]heptane-3-carboxylateMFCD09991640cis-3,6-Diazabicyclo[3.2.0]heptane-3-carboxylic acid benzyl esterSCHEMBL3822619DTXSID50635280BCONCMOUSFKNCK-NWDGAFQWSA-NAKOS015901387(S,S)-3,6-DIAZA-BICYCLO[3.2.0]HEPTANE-3-CARBOXYLIC ACID BENZYL ESTER3,6-Diazabicyclo[3.2.0]heptane-3-carboxylicacid, phenylmethyl ester, (1S,5S)-

Show more names

(1S,5S)-3-Cbz-3,6-diaza-bicyclo[3.2.0]heptane3,6-Diazabicyclo[3.2.0]heptane-3-carboxylic acid, benzyl ester, (1S,5S)-3,6-Diazabicyclo[3.2.0]heptane-3-carboxylic acid, phenylmethyl ester, (1S,5S)-

CS-0058151(1S,5S)-benzyl3,6-diazabicyclo[3.2.0]heptane-3-carboxylatebenzyl (cis)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate3,6-diazabicyclo[3.2.0]heptane-3-carboxylicacid,benzylester,(1r,5r)-

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 41.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 289

Physicochemical properties

storage temp.: 0 · Store at 0-8 °C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405

Chemistry & industry

Applications

UsesBenzyl (1S,5S)-3,6-diazabicyclo[3.2.0]heptan-3-carboxylate is a reagent used in the synthesis of 3,6-diazabicyclo[3.2.0]heptanes; selective α4β2 nicotine acetylcholine receptor agonists.