Cas no 88465-67-2 (Benzenemethanamine, N-methyl-4-nitro-N-(phenylmethyl)-)
88465-67-2 structure
Product Name:Benzenemethanamine, N-methyl-4-nitro-N-(phenylmethyl)-
CAS No:88465-67-2
MF:C15H16N2O2
MW:256.299743652344
CID:631711
PubChem ID:22668584
Update Time:2025-04-19
Benzenemethanamine, N-methyl-4-nitro-N-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanamine, N-methyl-4-nitro-N-(phenylmethyl)-
- N-methyl-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine
- SCHEMBL3143221
- N-Benzyl-N-methyl-1-(4-nitrophenyl)methanamine
- DTXSID90627467
- 88465-67-2
-
- Inchi： 1S/C15H16N2O2/c1-16(11-13-5-3-2-4-6-13)12-14-7-9-15(10-8-14)17(18)19/h2-10H,11-12H2,1H3
- InChI Key： MYKBOKGDXJCOSO-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC(=CC=1)CN(C)CC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 256.121177757g/mol
- Monoisotopic Mass: 256.121177757g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 276
- 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: 3.5
- Topological Polar Surface Area: 49.1?2
Benzenemethanamine, N-methyl-4-nitro-N-(phenylmethyl)- Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Xiuxia Yang,Lei Zhao,Zhichao Liu,Shuyu Tian,Hao Zhang,Xuhui Xu,Jianbei Qiu,Xue Yu Phys. Chem. Chem. Phys., 2020,22, 16294-16300
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
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