Cas no 161799-74-2 (N'-[(4-Nitrophenyl)methyl]propane-1,3-diamine)
![N'-[(4-Nitrophenyl)methyl]propane-1,3-diamine structure](https://ossimg.kuujia.com/scimg/162000/161799-74-2x500.png)
161799-74-2 structure
Product Name:N'-[(4-Nitrophenyl)methyl]propane-1,3-diamine
CAS No:161799-74-2
MF:C10H15N3O2
MW:209.245002031326
CID:2127362
Update Time:2023-08-04
N'-[(4-Nitrophenyl)methyl]propane-1,3-diamine Chemical and Physical Properties
Names and Identifiers
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- N1-(4-nitrobenzyl)propane-1,3-diamine
- N'-[(4-Nitrophenyl)methyl]propane-1,3-diamine
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- Inchi： 1S/C10H15N3O2/c11-6-1-7-12-8-9-2-4-10(5-3-9)13(14)15/h2-5,12H,1,6-8,11H2
- InChI Key： DTAYWASIRKMWDV-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC(=CC=1)CNCCCN)=O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 186
- Topological Polar Surface Area: 83.9
N'-[(4-Nitrophenyl)methyl]propane-1,3-diamine Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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