Cas no 172139-04-7 (cis-2-Benzyloctahydropyrrolo[3,4-c]pyrrole)
172139-04-7 structure
Product Name:cis-2-Benzyloctahydropyrrolo[3,4-c]pyrrole
CAS No:172139-04-7
MF:C13H18N2
MW:202.295423030853
CID:905614
PubChem ID:1514450
Update Time:2025-04-19
cis-2-Benzyloctahydropyrrolo[3,4-c]pyrrole Chemical and Physical Properties
Names and Identifiers
-
- cis-2-Benzyloctahydropyrrolo[3,4-c]pyrrole
- 1-Cyclopentene-1-methanol, α-methyl-, (αR)-
- (3aR,6aS)-2-benzyl-octahydropyrrolo[3,4-c]pyrrole
- cis-2-Benzylhexahydropyrrolo[3,4-c]pyrrole
- cis-2-Benzyl-octahydro-pyrrolo[3.4-c]pyrrole
- CS-11027
- 172739-04-7
- CIS-2-BENZYLOCTAHYDROPYRROLO(3,4-C)PYRROLE
- SCHEMBL653224
- DTXSID501182224
- Z1945707661
- AMY25021
- MFCD04116222
- A3804
- cis-2-benzyl-octahydropyrrolo[3,4-c]pyrrole
- (3aR,6aS)-2-benzyloctahydropyrrolo[3,4-c]pyrrole
- 3-Benzyl-cis-3,7-diazabicyclo[3.3.0]octane
- (3aR,6aS)-2-benzyl-octahydropyrrolo[3,4-c]pyrrole;cis-2-Benzylhexahydropyrrolo[3,4-c]pyrrole
- cis-2-Benzylhexahydropyrrolo[3 pound not4-c]pyrrole
- AOBSJQWEYXEPBK-BETUJISGSA-N
- EN300-191226
- CS-W001864
- 172139-04-7
- (aR)-a-Methyl-1-Cyclopentene-1-methanol
- AKOS015914852
- (3aS,6aR)-5-benzyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
- DB-028880
- Pyrrolo[3,4-c]pyrrole, octahydro-2-(phenylmethyl)-, (3aR,6aS)-rel-
- rel-(3aR,6aS)-Octahydro-2-(phenylmethyl)pyrrolo[3,4-c]pyrrole
- cis-3-benzyl-3,7-diazabicyclo[3.3.0]octane
- (3AR,6AS)-2-BENZYL-HEXAHYDRO-1H-PYRROLO[3,4-C]PYRROLE
-
- Inchi: 1S/C13H18N2/c1-2-4-11(5-3-1)8-15-9-12-6-14-7-13(12)10-15/h1-5,12-14H,6-10H2/t12-,13+
- InChI Key: AOBSJQWEYXEPBK-BETUJISGSA-N
- SMILES: N1(CC2C=CC=CC=2)C[C@H]2CNC[C@H]2C1
Computed Properties
- Exact Mass: 202.14714
- Monoisotopic Mass: 202.147
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 199
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 15.3A^2
- XLogP3: 1.4
Experimental Properties
- Density: 1.074
- Melting Point: 299.6 °C at 760 mmHg
- Boiling Point: 124 °C
- Flash Point: 124°C
- Refractive Index: 1.57
- PSA: 15.27
- LogP: 1.60450
cis-2-Benzyloctahydropyrrolo[3,4-c]pyrrole Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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