Cas no 58505-91-2 (3-Pyrrolidinecarboxylicacid, 1-octyl-5-oxo-)
58505-91-2 structure
Product Name:3-Pyrrolidinecarboxylicacid, 1-octyl-5-oxo-
CAS No:58505-91-2
MF:C13H23NO3
MW:241.326624155045
CID:373977
PubChem ID:94089
Update Time:2025-04-19
3-Pyrrolidinecarboxylicacid, 1-octyl-5-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyrrolidinecarboxylicacid, 1-octyl-5-oxo-
- 1-Octyl-5-oxopyrrolidine-3-carboxylic acid
- N-octyl-5-oxopyrrolidine-3-carboxylic acid
- DTXSID70974062
- 58505-91-2
- NS00052790
- AKOS017548309
- EINECS 261-300-7
- KTVSYQGGEIIOPJ-UHFFFAOYSA-N
- SCHEMBL2890516
-
- Inchi: 1S/C13H23NO3/c1-2-3-4-5-6-7-8-14-10-11(13(16)17)9-12(14)15/h11H,2-10H2,1H3,(H,16,17)
- InChI Key: KTVSYQGGEIIOPJ-UHFFFAOYSA-N
- SMILES: O=C1CC(C(=O)O)CN1CCCCCCCC
Computed Properties
- Exact Mass: 241.16789
- Monoisotopic Mass: 241.168
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 265
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 57.6?2
Experimental Properties
- Density: 1.071
- Boiling Point: 416.9°Cat760mmHg
- Flash Point: 205.9°C
- Refractive Index: 1.492
- PSA: 57.61
3-Pyrrolidinecarboxylicacid, 1-octyl-5-oxo- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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