Cas no 5602-33-5 ( )
structure
Product Name:
CAS No:5602-33-5
MF:C14H22N2O2
MW:250.336683750153
CID:944832
PubChem ID:5380603
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 1,4-di(piperidin-1-yl)but-2-ene-1,4-dione
- (E)-1,4-di(piperidin-1-yl)but-2-ene-1,4-dione
- DI-N-AMYLFUMARATE
- DI-N-PENTYL FUMARATE
- Dipentyl (2E)-2-butenedioate
- fumaric acid dipentyl ester
- Fumarsaeure-dipentylester
- Fumarsaeure-dipiperidid
- TIMTEC-BB SBB007709
- NSC-527550
- 5602-33-5
- NSC-101000
- NSC101000
- SCHEMBL1832187
- NSC527550
-
-
- Inchi： 1S/C14H22N2O2/c17-13(15-9-3-1-4-10-15)7-8-14(18)16-11-5-2-6-12-16/h7-8H,1-6,9-12H2/b8-7+
- InChI Key： NFFOSKAJEMKSAG-BQYQJAHWSA-N
- SMILES： O=C(/C=C/C(N1CCCCC1)=O)N1CCCCC1
Computed Properties
- Exact Mass: 250.16826
- Monoisotopic Mass: 250.168
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 295
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.1
- Topological Polar Surface Area: 40.6?2
Experimental Properties
- Density: 1.124
- Boiling Point: 473.2°C at 760 mmHg
- Flash Point: 222.8°C
- Refractive Index: 1.538
- PSA: 40.62
- LogP: 1.44340
Related Literature
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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