Cas no 7770-11-8 (2-(azepan-1-yl)-n,n-diethylethanamine;hydrochloride)
7770-11-8 structure
Product Name:2-(azepan-1-yl)-n,n-diethylethanamine;hydrochloride
CAS No:7770-11-8
MF:C12H27ClN2
MW:234.809182405472
CID:983698
PubChem ID:24200952
Update Time:2025-04-20
2-(azepan-1-yl)-n,n-diethylethanamine;hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- 2-(azepan-1-yl)-n,n-diethylethanamine;hydrochloride
- NSC402503; NSC-402503; 2-(AZEPAN-1-YL)-N,N-DIETHYLETHANAMINE HYDROCHLORIDE;
- DTXSID90639585
- NSC402503
- NSC-402503
- 7770-11-8
- 2-(Azepan-1-yl)-N,N-diethylethan-1-amine--hydrogen chloride (1/1)
-
- Inchi： 1S/C12H26N2.ClH/c1-3-13(4-2)11-12-14-9-7-5-6-8-10-14;/h3-12H2,1-2H3;1H
- InChI Key： YNFGGOUCWNJLSK-UHFFFAOYSA-N
- SMILES： Cl.N1(CCN(CC)CC)CCCCCC1
Computed Properties
- Exact Mass: 198.20978
- Monoisotopic Mass: 234.1862766g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 124
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 6.5?2
Experimental Properties
- PSA: 6.48
- LogP: 2.94410
2-(azepan-1-yl)-n,n-diethylethanamine;hydrochloride Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Jason Wan Lab Chip, 2020,20, 4528-4538
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