Cas no 57409-27-5 (Benzamide, 2-nitro-N,N-bis(phenylmethyl)-)
57409-27-5 structure
Product Name:Benzamide, 2-nitro-N,N-bis(phenylmethyl)-
CAS No:57409-27-5
MF:C21H18N2O3
MW:346.379225254059
CID:345462
PubChem ID:1244800
Update Time:2025-04-19
Benzamide, 2-nitro-N,N-bis(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzamide, 2-nitro-N,N-bis(phenylmethyl)-
- N,N-dibenzyl-2-nitrobenzamide
- CBMicro_011963
- DTXSID20361347
- SMSF0005453
- Oprea1_194796
- BIM-0011851.P001
- 57409-27-5
- CB15164
- AKOS002707174
-
- Inchi： 1S/C21H18N2O3/c24-21(19-13-7-8-14-20(19)23(25)26)22(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16H2
- InChI Key： HEJJNRNZTHBHBP-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1[N+](=O)[O-])N(CC1C=CC=CC=1)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 346.13184
- Monoisotopic Mass: 346.132
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 26
- Rotatable Bond Count: 5
- Complexity: 444
- 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: 4.2
- Topological Polar Surface Area: 66.1?2
Experimental Properties
- PSA: 63.45
Benzamide, 2-nitro-N,N-bis(phenylmethyl)- Related Literature
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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2. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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