Cas no 432027-49-1 (1,4-Benzenediamine,2-(1-propen-1-yl)-)
432027-49-1 structure
Product Name:1,4-Benzenediamine,2-(1-propen-1-yl)-
CAS No:432027-49-1
MF:C9H12N2
MW:148.204981803894
CID:326907
Update Time:2022-09-22
1,4-Benzenediamine,2-(1-propen-1-yl)- Chemical and Physical Properties
Names and Identifiers
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- 1,4-Benzenediamine,2-(1-propen-1-yl)-
- 1,4-Benzenediamine,2-(1-propenyl)-(9CI)
- 1,4-Benzenediamine, 2-(1-propen-1-yl)-
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- Inchi： 1S/C9H12N2/c1-2-3-7-6-8(10)4-5-9(7)11/h2-6H,10-11H2,1H3
- InChI Key： BBJFYVNGXJSBTI-UHFFFAOYSA-N
- SMILES： C1(N)=CC=C(N)C=C1C=CC
Computed Properties
- Exact Mass: 148.1
- Monoisotopic Mass: 148.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 143
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 52A^2
1,4-Benzenediamine,2-(1-propen-1-yl)- Related Literature
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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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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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5. 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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