Cas no 30000-98-7 (2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-3,3-dimethyl-)
30000-98-7 structure
Product Name:2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-3,3-dimethyl-
CAS No:30000-98-7
MF:C11H14N2O
MW:190.241662502289
CID:1443708
PubChem ID:12366539
Update Time:2025-04-20
2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-3,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-3,3-dimethyl-
- 3,3-dimethyl-2,5-dihydro-1H-1,5-benzodiazepin-4-one
- DTXSID70494518
- 30000-98-7
- 3,3-Dimethyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
- AKOS017531369
-
- Inchi： 1S/C11H14N2O/c1-11(2)7-12-8-5-3-4-6-9(8)13-10(11)14/h3-6,12H,7H2,1-2H3,(H,13,14)
- InChI Key： VPBGIAJYBGMRQI-UHFFFAOYSA-N
- SMILES： O=C1C(C)(C)CNC2C=CC=CC=2N1
Computed Properties
- Exact Mass: 190.11072
- Monoisotopic Mass: 190.110613074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 237
- 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: 1.7
- Topological Polar Surface Area: 41.1?2
Experimental Properties
- PSA: 41.13
2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-3,3-dimethyl- Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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