Cas no 2581-04-6 (1H-Pyrrolizine-3-carboxylicacid, hexahydro-)
2581-04-6 structure
Product Name:1H-Pyrrolizine-3-carboxylicacid, hexahydro-
CAS No:2581-04-6
MF:C8H13NO2
MW:155.194322347641
CID:239720
PubChem ID:19990612
Update Time:2025-04-19
1H-Pyrrolizine-3-carboxylicacid, hexahydro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrolizine-3-carboxylicacid, hexahydro-
- 1H-Pyrrolizine-3-carboxylicacid,hexahydro-(7CI,9CI)
- 2581-04-6
- DTXSID30601721
- Hexahydro-1H-pyrrolizine-3-carboxylic acid
- SCHEMBL124448
-
- Inchi： 1S/C8H13NO2/c10-8(11)7-4-3-6-2-1-5-9(6)7/h6-7H,1-5H2,(H,10,11)
- InChI Key： CLFIHFDKFSERQF-UHFFFAOYSA-N
- SMILES： OC(C1CCC2CCCN21)=O
Computed Properties
- Exact Mass: 155.09469
- Monoisotopic Mass: 155.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 181
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.3
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.54
1H-Pyrrolizine-3-carboxylicacid, hexahydro- Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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