Cas no 16597-38-9 (2H-1,3-Diazepin-2-one,hexahydro-1,3-dimethyl-)
16597-38-9 structure
Product Name:2H-1,3-Diazepin-2-one,hexahydro-1,3-dimethyl-
CAS No:16597-38-9
MF:C7H14N2O
MW:142.198861598969
CID:142409
PubChem ID:27949
Update Time:2025-04-19
2H-1,3-Diazepin-2-one,hexahydro-1,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1,3-Diazepin-2-one,hexahydro-1,3-dimethyl-
- 1,3-dimethyl-1,3-diazepan-2-one
- 1,3-Dimethyl-4,5,6,7-tetrahydro-1H-1,3-diazepine-2(3H)-one
- Hexahydro-1,3-dimethyl-1H-1,3-diazepin-2-one
- N,N'-Dimethyltetramethyleneurea
- 16597-38-9
- Hexahydro-1,3-dimethyl-1,3-diazepin-2-one
- BRN 0636605
- 2H-1,3-Diazepin-2-one, hexahydro-1,3-dimethyl-
- DTXSID40168057
- CHEMBL268227
- SCHEMBL8272670
- 1,3-DIAZEPIN-2-ONE, HEXAHYDRO-1,3-DIMETHYL-
-
- Inchi： 1S/C7H14N2O/c1-8-5-3-4-6-9(2)7(8)10/h3-6H2,1-2H3
- InChI Key： BSVHATKBZZYYIC-UHFFFAOYSA-N
- SMILES： O=C1N(C)CCCCN1C
Computed Properties
- Exact Mass: 142.11072
- Monoisotopic Mass: 142.110613
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 122
- 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: 23.6
- XLogP3: 0.2
Experimental Properties
- Density: 0.995
- Boiling Point: 232.3°C at 760 mmHg
- Flash Point: 93.7°C
- Refractive Index: 1.468
- PSA: 23.55
2H-1,3-Diazepin-2-one,hexahydro-1,3-dimethyl- Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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