Cas no 120337-33-9 (2H-1,5-Benzodiazepin-2-one,1-ethyl-1,3,4,5-tetrahydro-)
120337-33-9 structure
Product Name:2H-1,5-Benzodiazepin-2-one,1-ethyl-1,3,4,5-tetrahydro-
CAS No:120337-33-9
MF:C11H14N2O
MW:190.241662502289
CID:191771
PubChem ID:3078200
Update Time:2025-04-19
2H-1,5-Benzodiazepin-2-one,1-ethyl-1,3,4,5-tetrahydro- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1,5-Benzodiazepin-2-one,1-ethyl-1,3,4,5-tetrahydro-
- 5-ethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
- HSZLNPJAFSBTOE-UHFFFAOYSA-N
- Oprea1_356695
- DTXSID10152807
- BRN 5532774
- AKOS025120517
- 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-1-ethyl-
- 1,3,4,5-Tetrahydro-1-ethyl-2H-1,5-benzodiazepin-2-one
- SCHEMBL5234944
- 120337-33-9
- 1-Ethyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
-
- Inchi： 1S/C11H14N2O/c1-2-13-10-6-4-3-5-9(10)12-8-7-11(13)14/h3-6,12H,2,7-8H2,1H3
- InChI Key： HSZLNPJAFSBTOE-UHFFFAOYSA-N
- SMILES： O=C1CCNC2C=CC=CC=2N1CC
Computed Properties
- Exact Mass: 190.11072
- Monoisotopic Mass: 190.111
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 217
- 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: 1.3
- Topological Polar Surface Area: 32.3?2
Experimental Properties
- Density: 1.086
- Boiling Point: 411.7°C at 760 mmHg
- Flash Point: 202.8°C
- Refractive Index: 1.538
- PSA: 32.34
2H-1,5-Benzodiazepin-2-one,1-ethyl-1,3,4,5-tetrahydro- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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