Cas no 62261-45-4 (Methanone, (3-amino-5-methylphenyl)phenyl-)
62261-45-4 structure
Product Name:Methanone, (3-amino-5-methylphenyl)phenyl-
CAS No:62261-45-4
MF:C14H13NO
MW:211.259123563766
CID:452019
PubChem ID:71388195
Update Time:2025-04-19
Methanone, (3-amino-5-methylphenyl)phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, (3-amino-5-methylphenyl)phenyl-
- (3-amino-5-methylphenyl)-phenylmethanone
- (3-Amino-5-methylphenyl)(phenyl)methanone
- DTXSID90810271
- 62261-45-4
-
- Inchi: 1S/C14H13NO/c1-10-7-12(9-13(15)8-10)14(16)11-5-3-2-4-6-11/h2-9H,15H2,1H3
- InChI Key: DRVUNYORCQVIQV-UHFFFAOYSA-N
- SMILES: O=C(C1C=CC=CC=1)C1=CC(=CC(C)=C1)N
Computed Properties
- Exact Mass: 211.09979
- Monoisotopic Mass: 211.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 245
- 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: 2.9
- Topological Polar Surface Area: 43.1?2
Experimental Properties
- PSA: 43.09
Methanone, (3-amino-5-methylphenyl)phenyl- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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