Cas no 947533-19-9 ( )
structure
Product Name:
CAS No:947533-19-9
MF:C7H11ClN2O
MW:174.628040552139
CID:880178
PubChem ID:45158521
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 1-(2-aminopyridin-4-yl)ethanol,hydrochloride
- 2-Amino-4-(1'hydroxyethyl)-pyridine hydrochloride
- 1-(2-Aminopyridin-4-yl)ethan-1-ol--hydrogen chloride (1/1)
- 2-amino-4-(1'hydroxyethyl)pyridine hydrochloride
- 947533-19-9
- DTXSID20669557
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- Inchi： 1S/C7H10N2O.ClH/c1-5(10)6-2-3-9-7(8)4-6;/h2-5,10H,1H3,(H2,8,9);1H
- InChI Key： PIYIIOAKEPIWQE-UHFFFAOYSA-N
- SMILES： Cl.OC(C)C1C=CN=C(C=1)N
Computed Properties
- Exact Mass: 174.05600
- Monoisotopic Mass: 174.0559907g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 108
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 59.1?2
Experimental Properties
- PSA: 59.14000
- LogP: 2.10030
Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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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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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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