Cas no 53774-74-6 (1,8-Octanediamine, N-(3-aminopropyl)-)
53774-74-6 structure
Product Name:1,8-Octanediamine, N-(3-aminopropyl)-
CAS No:53774-74-6
MF:C11H27N3
MW:201.352182626724
CID:356391
PubChem ID:44278244
Update Time:2025-04-19
1,8-Octanediamine, N-(3-aminopropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,8-Octanediamine, N-(3-aminopropyl)-
- N'-(3-aminopropyl)octane-1,8-diamine
- N~1~-(3-Aminopropyl)octane-1,8-diamine
- CHEMBL28590
- DTXSID50658136
- 53774-74-6
- SCHEMBL6021973
-
- Inchi： 1S/C11H27N3/c12-8-5-3-1-2-4-6-10-14-11-7-9-13/h14H,1-13H2
- InChI Key： USFCFZJCWYDXBQ-UHFFFAOYSA-N
- SMILES： N(CCCN)CCCCCCCCN
Computed Properties
- Exact Mass: 201.22071
- Monoisotopic Mass: 201.220497874g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 11
- Complexity: 96.5
- 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: 0.8
- Topological Polar Surface Area: 64.1?2
Experimental Properties
- PSA: 64.07
1,8-Octanediamine, N-(3-aminopropyl)- Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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