2-Benzyloctahydropyrrolo[3,4-c]pyrrole

HCID 4454387

Notes Reactions

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Basic information

CAS: 86732-22-1
Standard SMILES: c1ccc(CN2CC3CNCC3C2)cc1
InChIKey: AOBSJQWEYXEPBK-UHFFFAOYSA-N
Molecular formula: C13H18N2
Average molar mass: 202.3 g/mol
Monoisotopic mass: 202.14699858

Names & identifiers

Preferred name: 2-Benzyloctahydropyrrolo[3,4-c]pyrrole
IUPAC: 5-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
English name: 3-Benzyl-3,7-diazabicyclo[3.3.0]octane
Molecular formula: C13H18N2
Molecular weight: 202.3

Names & synonyms

2-benzyloctahydropyrrolo[3,4-c]pyrrole86732-22-13-Benzyl-3,7-diazabicyclo[3.3.0]octane2-Benzyl-octahydro-pyrrolo[3,4-c]pyrrole2-Benzyl-octahydropyrrolo[3,4-c]pyrrole5-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrroleMFCD04115126AKOS010140471CS-W019089AB01164AB19677F1967-2318

Show more names

4,5-DIHYDROBENZO[D...Octahydro-2-benzylpyrrolo[3,4-c]pyrrole3-BENZYL-3,7-DIAZABICYCLO[3.3.0]OCTANE,98%2-Benzyl-Octahydro-Pyrrolo[3,4-C]Pyrrole HClPyrrolo[3,4-c]pyrrole, octahydro-2-(phenylmethyl)-5-(phenylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

Z608042636(3aR,6aS)-2-benzyloctahydropyrrolo[3,4-c]pyrrole2-BENZYL-OCTAHYDRO-PYRROLO [3,4-C] PYRROLEFT-0650171SCHEMBL477142orb3029645SCHEMBL3115573AOBSJQWEYXEPBK-UHFFFAOYSA-N

Database identifiers

CAS: 86732-22-1
PubChem CID: 4454387
DTXSID: DTXSID401007067

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 199

Physicochemical properties

storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22
HS Code: 2933998090 · 2933998090

Safety & regulation

Safety data

hs_code: 2933998090
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
Hazard statements: H302-H315-H319-H335
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

5-BENZYL-TETRAHYDROPYRROLO[3,4-C]PYRROLE-1,3(2H,3AH)-DIONE 2-BENZYL-TETRAHYDROPYRROLO[3,4-C] PYRROLE-1,3(2H,3AH)-DIONE Tetrahydrofuran Sodium sulfate Lithium Aluminum Hydride Water

Downstream products

Suppliers68 total

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

杭州鸿喜生物医药科技有限公司18989489206 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

安徽合诺生物科技有限公司0555-2761852

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

17 records

New reaction record

HRID 80723 reaction equation

HRID 80723As reactantuspto-grants-2014_09

HRID 159342 reaction equation

HRID 159342As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 244033 reaction equation

HRID 244033As reactantuspto-grants-2014_02

HRID 515557 reaction equation

HRID 515557As reactantuspto-grants-2015_08

HRID 687803 reaction equation

HRID 687803As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 712417 reaction equation

HRID 712417As productuspto-grants-2015_11

HRID 1120714 reaction equation

HRID 1120714As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1233108 reaction equation

HRID 1233108As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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