Cas no 59411-71-1 (4-(2,5-dimethoxy-4-nitrophenyl)morpholine)
59411-71-1 structure
Product Name:4-(2,5-dimethoxy-4-nitrophenyl)morpholine
CAS No:59411-71-1
MF:C12H16N2O5
MW:268.265843391418
CID:950110
PubChem ID:101048
Update Time:2025-04-19
4-(2,5-dimethoxy-4-nitrophenyl)morpholine Chemical and Physical Properties
Names and Identifiers
-
- 4-(2,5-dimethoxy-4-nitrophenyl)morpholine
- Morpholine, 4-(2,5-dimethoxy-4-nitrophenyl)-
- N-(2,5-Dimethoxy-4-nitrophenyl)morpholine
- EINECS 261-749-9
- DTXSID6069327
- UNII-9E4Q4WLY55
- AKOS015953388
- DB-294572
- 9E4Q4WLY55
- IMMNPCLCFUZRHP-UHFFFAOYSA-N
- SCHEMBL12312118
- STL289910
- 59411-71-1
- NS00034160
-
- Inchi: 1S/C12H16N2O5/c1-17-11-8-10(14(15)16)12(18-2)7-9(11)13-3-5-19-6-4-13/h7-8H,3-6H2,1-2H3
- InChI Key: IMMNPCLCFUZRHP-UHFFFAOYSA-N
- SMILES: O1CCN(C2C=C(C(=CC=2OC)[N+](=O)[O-])OC)CC1
Computed Properties
- Exact Mass: 268.10598
- Monoisotopic Mass: 268.10592162g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 303
- 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: 1.4
- Topological Polar Surface Area: 76.8?2
Experimental Properties
- PSA: 74.07
4-(2,5-dimethoxy-4-nitrophenyl)morpholine Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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