Cas no 147510-59-6 (1,4-Butanediamine,N1-[4-(ethylamino)butyl]-N4-[4-[[4-(ethylamino)butyl]amino]butyl]-)
147510-59-6 structure
Product Name:1,4-Butanediamine,N1-[4-(ethylamino)butyl]-N4-[4-[[4-(ethylamino)butyl]amino]butyl]-
CAS No:147510-59-6
MF:C20H47N5
MW:357.620684862137
CID:146038
PubChem ID:368998
Update Time:2025-04-19
1,4-Butanediamine,N1-[4-(ethylamino)butyl]-N4-[4-[[4-(ethylamino)butyl]amino]butyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Butanediamine,N1-[4-(ethylamino)butyl]-N4-[4-[[4-(ethylamino)butyl]amino]butyl]-
- N-ethyl-N'-[4-[4-[4-(ethylamino)butylamino]butylamino]butyl]butane-1,4-diamine
- 3,8,13,18,23-Pentaazapentacosane
- Papc-hcl
- BE 4-4-4-4
- SCHEMBL429223
- NCIMech_000262
- NCI60_013495
- SL-11061
- 1,19-Bis(ethylamino)-5,10,15-triazanonadecane
- N~1~-Ethyl-N~4~-(4-((4-((4-(ethylamino)butyl)amino)butyl)amino)butyl)-1,4-butanediamine hydrochloride
- CHEMBL551489
- Ethyl[4-({4-[(4-{[4-(ethylamino)butyl]amino}butyl)amino]butyl}amino)butyl]amine
- 3,8,13,18-Pentaazapentacosane pentahydrochloride
- CAS_147510-59-6
- BDBM86161
- 1,4-Butanediamine, N-(4-(ethylamino)butyl)-N'-(4-((4-(ethylamino)butyl)amino)butyl)-
- 1, 4-Butanediamine, {N-[4-(ethylamino)butyl]-N'-[4-[[4-(ethylamino)butyl]amino]butyl]-,} pentahydrochloride
- DTXSID50163735
- BE4444
- 147510-59-6
- PDSP2_000331
- PDSP1_000333
- NSC640506
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- Inchi: 1S/C20H47N5/c1-3-21-13-5-7-15-23-17-9-11-19-25-20-12-10-18-24-16-8-6-14-22-4-2/h21-25H,3-20H2,1-2H3
- InChI Key: NPPQUDMGFNXAFH-UHFFFAOYSA-N
- SMILES: N(CCCCNCCCCNCC)CCCCNCCCCNCC
Computed Properties
- Exact Mass: 357.38300
- Monoisotopic Mass: 357.383
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 25
- Rotatable Bond Count: 22
- Complexity: 204
- 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: 1.7
- Topological Polar Surface Area: 60.2?2
Experimental Properties
- Density: 0.887
- Boiling Point: 464.9°C at 760 mmHg
- Flash Point: 239.4°C
- Refractive Index: 1.471
- PSA: 60.15000
- LogP: 4.04950
1,4-Butanediamine,N1-[4-(ethylamino)butyl]-N4-[4-[[4-(ethylamino)butyl]amino]butyl]- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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