Cas no 6321-05-7 ( )
structure
Product Name:
CAS No:6321-05-7
MF:C14H24Cl2N2O
MW:307.259161949158
CID:959227
PubChem ID:53422072
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 1-(2-METHOXYPHENYL)-4-PROPAN-2-YLPIPERAZINE DIHYDROCHLORIDE
- 6321-05-7
-
-
- Inchi： 1S/C14H22N2O.2ClH/c1-12(2)15-8-10-16(11-9-15)13-6-4-5-7-14(13)17-3;;/h4-7,12H,8-11H2,1-3H3;2*1H
- InChI Key： JBSBDSJAZBASBU-UHFFFAOYSA-N
- SMILES： Cl.Cl.O(C)C1C=CC=CC=1N1CCN(C(C)C)CC1
Computed Properties
- Exact Mass: 234.17336
- Monoisotopic Mass: 270.15
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 224
- 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: 15.7A^2
Experimental Properties
- Density: 1.023
- Boiling Point: 337.6°C at 760 mmHg
- Flash Point: 97.5°C
- Refractive Index: 1.528
- PSA: 15.71
- LogP: 3.03050
Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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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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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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