Cas no 4775-99-9 (1,3-Benzodioxole-5-methanamine, 4-methoxy-)
4775-99-9 structure
Product Name:1,3-Benzodioxole-5-methanamine, 4-methoxy-
CAS No:4775-99-9
MF:C9H11NO3
MW:181.188542604446
CID:332427
PubChem ID:21294011
Update Time:2024-03-01
1,3-Benzodioxole-5-methanamine, 4-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzodioxole-5-methanamine,4-methoxy-
- Benzylamine, 2-methoxy-3,4-(methylenedioxy)-
- Piperonylamine,2-methoxy- (8CI)
- 1,3-Benzodioxole-5-methanamine, 4-methoxy-
-
- Inchi： 1S/C9H11NO3/c1-11-8-6(4-10)2-3-7-9(8)13-5-12-7/h2-3H,4-5,10H2,1H3
- InChI Key： HIIPUEPYYVQJCD-UHFFFAOYSA-N
- SMILES： O1C2=CC=C(CN)C(OC)=C2OC1
Computed Properties
- Exact Mass: 181.07389321g/mol
- Monoisotopic Mass: 181.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 176
- 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: 0.6
- Topological Polar Surface Area: 53.7?2
1,3-Benzodioxole-5-methanamine, 4-methoxy- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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