Cas no 543-99-7 (1-Butanamine,3-methyl-N-(3-methylbutyl)-, hydrochloride (1:1))
543-99-7 structure
Product Name:1-Butanamine,3-methyl-N-(3-methylbutyl)-, hydrochloride (1:1)
1-Butanamine,3-methyl-N-(3-methylbutyl)-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 1-Butanamine,3-methyl-N-(3-methylbutyl)-, hydrochloride (1:1)
- di-iso-amylammonium chloride
- diisopentylammonium chloride
- 3-methyl-N-(3-methylbutyl)butan-1-amine hydrochloride (1:1)
- UNII-XLA55H7EJN
- N-isopentyl-3-methyl-1-butanamine hydrochloride
- DTXSID10969351
- DIISOPENTYLAMINE, HYDROCHLORIDE
- 543-99-7
- Q27293890
- DIISOAMYLAMINE HYDROCHLORIDE [MI]
- 1-BUTANAMINE, 3-METHYL-N-(3-METHYLBUTYL)-, HYDROCHLORIDE (1:1)
- EINECS 208-855-3
- Diisopentylamin-hydrochlorid
- 3-Methyl-N-(3-methylbutyl)butan-1-amine--hydrogen chloride (1/1)
- XLA55H7EJN
-
- Inchi： 1S/C10H23N.ClH/c1-9(2)5-7-11-8-6-10(3)4;/h9-11H,5-8H2,1-4H3;1H
- InChI Key： RCJGSLQDTTUTKL-UHFFFAOYSA-N
- SMILES： Cl.N(CCC(C)C)CCC(C)C
Computed Properties
- Exact Mass: 168.972
- Monoisotopic Mass: 193.16
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 66.9
- 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: 12A^2
Experimental Properties
- Boiling Point: 188°Cat760mmHg
- Flash Point: 46.6°C
- PSA: 14.1
1-Butanamine,3-methyl-N-(3-methylbutyl)-, hydrochloride (1:1) 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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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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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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