Cas no 457897-85-7 (Benzenamine,4-[(2S)-2-oxiranylmethoxy]-)
![Benzenamine,4-[(2S)-2-oxiranylmethoxy]- structure](https://ossimg.kuujia.com/scimg/458000/457897-85-7x500.png)
457897-85-7 structure
Product Name:Benzenamine,4-[(2S)-2-oxiranylmethoxy]-
CAS No:457897-85-7
MF:C9H11NO2
MW:165.189142465591
CID:327943
PubChem ID:28875323
Update Time:2025-04-19
Benzenamine,4-[(2S)-2-oxiranylmethoxy]- Chemical and Physical Properties
Names and Identifiers
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- Benzenamine,4-[(2S)-2-oxiranylmethoxy]-
- Benzenamine, 4-[(2S)-oxiranylmethoxy]- (9CI)
- DTXSID10651724
- SCHEMBL13948475
- 457897-85-7
- 4-{[(2S)-Oxiran-2-yl]methoxy}aniline
-
- Inchi： 1S/C9H11NO2/c10-7-1-3-8(4-2-7)11-5-9-6-12-9/h1-4,9H,5-6,10H2/t9-/m1/s1
- InChI Key： ALBWDNPLQOJPCK-SECBINFHSA-N
- SMILES： O1C[C@H]1COC1C=CC(=CC=1)N
Computed Properties
- Exact Mass: 165.078978594g/mol
- Monoisotopic Mass: 165.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 144
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 47.8?2
Benzenamine,4-[(2S)-2-oxiranylmethoxy]- Related Literature
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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