Cas no 31338-32-6 (1-(3,4-difluorophenyl)propan-2-amine)
31338-32-6 structure
Product Name:1-(3,4-difluorophenyl)propan-2-amine
CAS No:31338-32-6
MF:C9H11F2N
MW:171.18714928627
CID:1110689
PubChem ID:11182888
Update Time:2023-10-31
1-(3,4-difluorophenyl)propan-2-amine Chemical and Physical Properties
Names and Identifiers
-
- 1-(3,4-difluorophenyl)propan-2-amine
- 1-(3,4-difluorophenyl)-2-aminopropane
- AC-17698
- AG-F-04264
- CTK4G6883
- SureCN1179502
- N11068
- GJEXOPSQWJWJRQ-UHFFFAOYSA-N
- AKOS000159295
- 31338-32-6
- DTXSID80457891
- AKOS022488554
- SCHEMBL1179502
-
- Inchi： 1S/C9H11F2N/c1-6(12)4-7-2-3-8(10)9(11)5-7/h2-3,5-6H,4,12H2,1H3
- InChI Key： GJEXOPSQWJWJRQ-UHFFFAOYSA-N
- SMILES： FC1=C(C=CC(=C1)CC(C)N)F
Computed Properties
- Exact Mass: 171.08595568g/mol
- Monoisotopic Mass: 171.08595568g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 141
- 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: 1.9
- Topological Polar Surface Area: 26?2
1-(3,4-difluorophenyl)propan-2-amine Related Literature
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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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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
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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