Cas no 376640-08-3 (Benzenemethanamine,4-hexyl-)
Benzenemethanamine,4-hexyl- structure
Product Name:Benzenemethanamine,4-hexyl-
CAS No:376640-08-3
MF:C13H21N
MW:191.3125436306
CID:298165
PubChem ID:24721043
Update Time:2025-04-19
Benzenemethanamine,4-hexyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanamine,4-hexyl-
- (4-hexylphenyl)methylamine
- 4-N-HEXYLBENZYLAMINE
- OJKANOMRJNKQRV-UHFFFAOYSA-N
- SCHEMBL393623
- AKOS006280018
- 4-hexylbenzylamine
- 376640-08-3
- (4-HEXYLPHENYL)METHANAMINE
-
- Inchi： 1S/C13H21N/c1-2-3-4-5-6-12-7-9-13(11-14)10-8-12/h7-10H,2-6,11,14H2,1H3
- InChI Key： OJKANOMRJNKQRV-UHFFFAOYSA-N
- SMILES： NCC1C=CC(=CC=1)CCCCCC
Computed Properties
- Exact Mass: 191.16753
- Monoisotopic Mass: 191.167
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 125
- 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: 4.4
- Topological Polar Surface Area: 26A^2
Experimental Properties
- Density: 0.918±0.06 g/cm3 (20 oC 760 Torr),
- Solubility: Very slightly soluble (0.15 g/l) (25 o C),
- PSA: 26.02
Benzenemethanamine,4-hexyl- 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
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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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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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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