Cas no 76842-13-2 (BENZENAMINE, 4-IODO-2-(1-METHYLETHYL)-)
76842-13-2 structure
Product Name:BENZENAMINE, 4-IODO-2-(1-METHYLETHYL)-
CAS No:76842-13-2
MF:C9H12IN
MW:261.102754592896
CID:3361278
PubChem ID:12667938
Update Time:2025-04-21
BENZENAMINE, 4-IODO-2-(1-METHYLETHYL)- Chemical and Physical Properties
Names and Identifiers
-
- BENZENAMINE, 4-IODO-2-(1-METHYLETHYL)-
- 990-938-5
- 76842-13-2
- 4-iodo-2-isopropylaniline
- SCHEMBL4647387
- DB-138576
- 4-iodo-2-isopropyl-phenylamine
- 4-Iodo-2-(propan-2-yl)aniline
- 4-Iodo-2-[prop-2-yl]aniline
- DWQGELZWNCZPIP-UHFFFAOYSA-N
-
- Inchi: 1S/C9H12IN/c1-6(2)8-5-7(10)3-4-9(8)11/h3-6H,11H2,1-2H3
- InChI Key: DWQGELZWNCZPIP-UHFFFAOYSA-N
- SMILES: C1(N)=CC=C(I)C=C1C(C)C
Computed Properties
- Exact Mass: 261.00145Da
- Monoisotopic Mass: 261.00145Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 125
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 26?2
BENZENAMINE, 4-IODO-2-(1-METHYLETHYL)- Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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