Cas no 106261-62-5 (4-(piperidin-1-ylmethyl)benzoyl Chloride;hydrochloride)
106261-62-5 structure
Product Name:4-(piperidin-1-ylmethyl)benzoyl Chloride;hydrochloride
CAS No:106261-62-5
MF:C13H17Cl2NO
MW:274.186181783676
CID:1173940
PubChem ID:20227032
Update Time:2025-04-20
4-(piperidin-1-ylmethyl)benzoyl Chloride;hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- 4-(piperidin-1-ylmethyl)benzoyl chloride,hydrochloride
- 4-(piperidin-1-ylmethyl)benzoyl chloride
- hydrochloride
- 106261-62-5
- SCHEMBL10374835
- DTXSID90603842
- 4-[(Piperidin-1-yl)methyl]benzoyl chloride--hydrogen chloride (1/1)
- 4-(piperidin-1-ylmethyl)benzoyl Chloride;hydrochloride
-
- Inchi： 1S/C13H16ClNO.ClH/c14-13(16)12-6-4-11(5-7-12)10-15-8-2-1-3-9-15;/h4-7H,1-3,8-10H2;1H
- InChI Key： VRIIQUKMDBSILC-UHFFFAOYSA-N
- SMILES： ClC(C1C=CC(=CC=1)CN1CCCCC1)=O.Cl
Computed Properties
- Exact Mass: 273.06891
- Monoisotopic Mass: 273.0687196g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 230
- 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: 20.3?2
Experimental Properties
- PSA: 20.31
- LogP: 3.79140
4-(piperidin-1-ylmethyl)benzoyl Chloride;hydrochloride Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
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Kevin M. Koo,Abu Ali Ibn Sina,Laura G. Carrascosa,Muhammad J. A. Shiddiky Analyst, 2014,139, 6178-6184
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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