Cas no 96619-91-9 (4-Piperidinecarboxamide,4-(propylamino)-)
96619-91-9 structure
Product Name:4-Piperidinecarboxamide,4-(propylamino)-
CAS No:96619-91-9
MF:C9H19N3O
MW:185.266661882401
CID:808654
PubChem ID:3024604
Update Time:2025-04-19
4-Piperidinecarboxamide,4-(propylamino)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Piperidinecarboxamide,4-(propylamino)-
- 4-(propylamino)piperidine-4-carboxamide
- EINECS 306-203-3
- DTXSID90242376
- SCHEMBL14433838
- 96619-91-9
- AKOS010493793
- NS00065394
-
- Inchi: 1S/C9H19N3O/c1-2-5-12-9(8(10)13)3-6-11-7-4-9/h11-12H,2-7H2,1H3,(H2,10,13)
- InChI Key: KZMRRQMCXODLGO-UHFFFAOYSA-N
- SMILES: O=C(C1(CCNCC1)NCCC)N
Computed Properties
- Exact Mass: 185.152812
- Monoisotopic Mass: 185.152812
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- 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
- Topological Polar Surface Area: 67.2
- XLogP3: -0.4
Experimental Properties
- Density: 1.05
- Boiling Point: 362.6°Cat760mmHg
- Flash Point: 173.1°C
- Refractive Index: 1.512
4-Piperidinecarboxamide,4-(propylamino)- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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