Cas no 31563-40-3 (Urea,N,N''-1,6-hexanediylbis[N',N'-diethyl- (9CI))
31563-40-3 structure
Product Name:Urea,N,N''-1,6-hexanediylbis[N',N'-diethyl- (9CI)
CAS No:31563-40-3
MF:C16H34N4O2
MW:314.466763973236
CID:322635
PubChem ID:342110
Update Time:2025-04-19
Urea,N,N''-1,6-hexanediylbis[N',N'-diethyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 3-[6-(diethylcarbamoylamino)hexyl]-1,1-diethylurea
- 1,1'-Hexamethylen-bis-3,3-diethylharnstoff
- AC1L7VFX
- NSC377383
- SCHEMBL5696656
- NSC-377383
- 31563-40-3
- AKOS024336683
- DTXSID60321546
- 3,3'-HEXAMETHYLENEBIS(1,1-DIETHYLUREA)
- Urea,N,N''-1,6-hexanediylbis[N',N'-diethyl- (9CI)
-
- Inchi： 1S/C16H34N4O2/c1-5-19(6-2)15(21)17-13-11-9-10-12-14-18-16(22)20(7-3)8-4/h5-14H2,1-4H3,(H,17,21)(H,18,22)
- InChI Key： VJHDWPCXKVNNLE-UHFFFAOYSA-N
- SMILES： O=C(N(CC)CC)NCCCCCCNC(N(CC)CC)=O
Computed Properties
- Exact Mass: 314.26842
- Monoisotopic Mass: 314.268176
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 11
- Complexity: 273
- 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: 64.7
- XLogP3: 1.8
Experimental Properties
- Density: 0.985
- Boiling Point: 545.9°C at 760 mmHg
- Flash Point: 283.9°C
- Refractive Index: 1.481
- PSA: 64.68
- LogP: 3.43140
Urea,N,N''-1,6-hexanediylbis[N',N'-diethyl- (9CI) Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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