Cas no 10581-05-2 (1,4-Piperazinedicarboxamide(7CI,9CI))
10581-05-2 structure
Product Name:1,4-Piperazinedicarboxamide(7CI,9CI)
CAS No:10581-05-2
MF:C6H12N4O2
MW:172.185080528259
CID:142129
PubChem ID:258194
Update Time:2025-04-19
1,4-Piperazinedicarboxamide(7CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Piperazinedicarboxamide(7CI,9CI)
- PIPERAZINE-1,4-DICARBOXAMIDE
- 1,4-Piperazinedicarboxamide
- SCHEMBL572569
- NSC86957
- 10581-05-2
- CCG-40516
- NSC-86957
- DTXSID50293041
-
- Inchi： 1S/C6H12N4O2/c7-5(11)9-1-2-10(4-3-9)6(8)12/h1-4H2,(H2,7,11)(H2,8,12)
- InChI Key： NFHBOEVHUVZABE-UHFFFAOYSA-N
- SMILES： O=C(N)N1CCN(C(N)=O)CC1
Computed Properties
- Exact Mass: 172.09616
- Monoisotopic Mass: 172.096
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 176
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.2
- Topological Polar Surface Area: 92.7?2
Experimental Properties
- Density: 1.372
- Boiling Point: 361.8°Cat760mmHg
- Flash Point: 172.6°C
- Refractive Index: 1.58
- PSA: 92.66
- LogP: 0.03780
1,4-Piperazinedicarboxamide(7CI,9CI) Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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