Cas no 95982-61-9 (Benzenemethanamine, 2-nitro-N-(phenylmethyl)-)
95982-61-9 structure
Product Name:Benzenemethanamine, 2-nitro-N-(phenylmethyl)-
CAS No:95982-61-9
MF:C14H14N2O2
MW:242.273163318634
CID:1985783
PubChem ID:11172545
Update Time:2025-04-21
Benzenemethanamine, 2-nitro-N-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanamine, 2-nitro-N-(phenylmethyl)-
- N-[(2-nitrophenyl)methyl]-1-phenylmethanamine
- 2-Nitro-dibenzylamin
- Benzenemethanamine,2-nitro-N-(phenylmethyl)
- Benzyl-(2-nitro-benzyl)-amin
- benzyl(2-nitrobenzyl)amine
- BENZYL[(2-NITROPHENYL)METHYL]AMINE
- N-(2-nitrobenzyl)benzylamine
- N-benzyl-2-nitrobenzylamine
- o-nitro-N-benzyl(benzylamine)
- 95982-61-9
- AKOS000251241
- DTXSID20457658
- DTXCID10408477
- SCHEMBL1042441
-
- Inchi： 1S/C14H14N2O2/c17-16(18)14-9-5-4-8-13(14)11-15-10-12-6-2-1-3-7-12/h1-9,15H,10-11H2
- InChI Key： WEWJQVKHZUNSPG-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC=CC=1CNCC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 242.10600
- Monoisotopic Mass: 242.105527694Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 259
- 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
- Topological Polar Surface Area: 57.9?2
Experimental Properties
- PSA: 57.85000
- LogP: 3.79870
Benzenemethanamine, 2-nitro-N-(phenylmethyl)- Related Literature
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
-
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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