Cas no 3166-99-2 (Benzeneethanamine,4-propyl-, hydrochloride (1:1))
3166-99-2 structure
Product Name:Benzeneethanamine,4-propyl-, hydrochloride (1:1)
CAS No:3166-99-2
MF:C11H18ClN
MW:199.720322132111
CID:322523
PubChem ID:24189590
Update Time:2025-04-19
Benzeneethanamine,4-propyl-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzeneethanamine,4-propyl-, hydrochloride (1:1)
- 2-(4-propylphenyl)ethanamine,hydrochloride
- NSC93697
- NSC-93697
- SureCN5154236
- DTXSID20637615
- 3166-99-2
- 2-(4-Propylphenyl)ethan-1-amine--hydrogen chloride (1/1)
- SCHEMBL5154236
- NSC 93697
-
- Inchi： 1S/C11H17N.ClH/c1-2-3-10-4-6-11(7-5-10)8-9-12;/h4-7H,2-3,8-9,12H2,1H3;1H
- InChI Key： INPYKNHVGRCYTD-UHFFFAOYSA-N
- SMILES： Cl.NCCC1C=CC(=CC=1)CCC
Computed Properties
- Exact Mass: 163.13621
- Monoisotopic Mass: 199.1127773g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 104
- 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: 26?2
Experimental Properties
- PSA: 26.02
- LogP: 3.64260
Benzeneethanamine,4-propyl-, hydrochloride (1:1) Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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