Cas no 120337-35-1 (2H-1,5-Benzodiazepin-2-one,1,3,4,5-tetrahydro-1,3,5-trimethyl-)
120337-35-1 structure
Product Name:2H-1,5-Benzodiazepin-2-one,1,3,4,5-tetrahydro-1,3,5-trimethyl-
CAS No:120337-35-1
MF:C12H16N2O
MW:204.268242835999
CID:221764
PubChem ID:2824989
Update Time:2025-04-19
2H-1,5-Benzodiazepin-2-one,1,3,4,5-tetrahydro-1,3,5-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1,5-Benzodiazepin-2-one,1,3,4,5-tetrahydro-1,3,5-trimethyl-
- 1,3,5-trimethyl-2,3-dihydro-1,5-benzodiazepin-4-one
- EU-0085736
- DTXSID30923334
- 1,3,5-TRIMETHYL-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-2-ONE
- 1,3,5-trimethyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
- BRN 5541165
- AKOS001739801
- AKOS022015204
- 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-1,3,5-trimethyl-
- 120337-35-1
- CCG-249341
- 1,3,4,5-Tetrahydro-1,3,5-trimethyl-2H-1,5-benzodiazepin-2-one
-
- Inchi： 1S/C12H16N2O/c1-9-8-13(2)10-6-4-5-7-11(10)14(3)12(9)15/h4-7,9H,8H2,1-3H3
- InChI Key： SANQWJYRNLJHJX-UHFFFAOYSA-N
- SMILES： O=C1C(C)CN(C)C2C=CC=CC=2N1C
Computed Properties
- Exact Mass: 204.12638
- Monoisotopic Mass: 204.126263138g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 254
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 23.6?2
Experimental Properties
- PSA: 23.55
2H-1,5-Benzodiazepin-2-one,1,3,4,5-tetrahydro-1,3,5-trimethyl- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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