Cas no 143206-29-5 (Benzeneacetonitrile,4-amino-a-hydroxy-)
143206-29-5 structure
Product Name:Benzeneacetonitrile,4-amino-a-hydroxy-
CAS No:143206-29-5
MF:C8H8N2O
MW:148.16192150116
CID:108225
PubChem ID:14386384
Update Time:2025-04-18
Benzeneacetonitrile,4-amino-a-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetonitrile,4-amino-a-hydroxy-
- 2-(4-aminophenyl)-2-hydroxyacetonitrile
- (4-Aminophenyl)(hydroxy)acetonitrile
- DTXSID20559661
- SCHEMBL8020863
- 143206-29-5
- Benzeneacetonitrile, 4-amino-alpha-hydroxy- (9CI)
- AKOS006365822
-
- Inchi： 1S/C8H8N2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,11H,10H2
- InChI Key： RNLBUKNYJYXGLX-UHFFFAOYSA-N
- SMILES： OC(C#N)C1C=CC(=CC=1)N
Computed Properties
- Exact Mass: 148.06374
- Monoisotopic Mass: 148.063662883g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 164
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 70?2
Experimental Properties
- PSA: 70.04
Benzeneacetonitrile,4-amino-a-hydroxy- Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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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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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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