Cas no 104310-01-2 (1H-1,5-Benzodiazepine-1-carboxaldehyde,2,3,4,5-tetrahydro-4-oxo-)
104310-01-2 structure
Product Name:1H-1,5-Benzodiazepine-1-carboxaldehyde,2,3,4,5-tetrahydro-4-oxo-
CAS No:104310-01-2
MF:C10H10N2O2
MW:190.198602199554
CID:206708
PubChem ID:59832
Update Time:2025-04-19
1H-1,5-Benzodiazepine-1-carboxaldehyde,2,3,4,5-tetrahydro-4-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 1H-1,5-Benzodiazepine-1-carboxaldehyde,2,3,4,5-tetrahydro-4-oxo-
- 2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carbaldehyde
- 2,3,4,5-Tetrahydro-4-oxo-1H-1,5-benzodiazepine-1-carboxaldehyde
- 4-oxo-2,3,4,5-tetrahydro-1h-1,5-benzodiazepine-1-carbaldehyde
- 5-Formyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
- AC1L1S15
- AC1Q6QQ3
- BRN 4432390
- LS-34017
- 1H-1,5-BENZODIAZEPINE-1-CARBOXALDEHYDE, 2,3,4,5-TETRAHYDRO-4-OXO-
- 104310-01-2
- DTXSID70146383
-
- Inchi： 1S/C10H10N2O2/c13-7-12-6-5-10(14)11-8-3-1-2-4-9(8)12/h1-4,7H,5-6H2,(H,11,14)
- InChI Key： SCMUIHFWOAOWEK-UHFFFAOYSA-N
- SMILES： O=C1CCN(C=O)C2C=CC=CC=2N1
Computed Properties
- Exact Mass: 190.0743
- Monoisotopic Mass: 190.074228
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 242
- 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
- Topological Polar Surface Area: 49.4
- XLogP3: 0.2
Experimental Properties
- Density: 1.319
- Boiling Point: 433.1°Cat760mmHg
- Flash Point: 215.7°C
- Refractive Index: 1.642
- PSA: 49.41
- LogP: 1.77760
1H-1,5-Benzodiazepine-1-carboxaldehyde,2,3,4,5-tetrahydro-4-oxo- Related Literature
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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