Cas no 13908-71-9 (urea, 1,1'-(methylenedi-p-phenylene)bis[3-(2-chloroethyl)-)
13908-71-9 structure
Product Name:urea, 1,1'-(methylenedi-p-phenylene)bis[3-(2-chloroethyl)-
CAS No:13908-71-9
MF:C19H22Cl2N4O2
MW:409.309582233429
CID:902607
PubChem ID:254305
Update Time:2025-04-19
urea, 1,1'-(methylenedi-p-phenylene)bis[3-(2-chloroethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-(2-chloroethyl)-3-[4-[[4-(2-chloroethylcarbamoylamino)phenyl]methyl]phenyl]urea
- 1,1'-(methanediyldibenzene-4,1-diyl)bis[3-(2-chloroethyl)urea]
- 1,1'-(methylenedi-p-phenylene)bis[3-(2-chloroethyl)-urea]
- AC1L5PYI
- AC1Q5MO9
- AG-K-03217
- AR-1B3581
- CTK4C1592
- KST-1B0821
- NSC78515
- 13908-71-9
- Urea, 1,1'-(methylenedi-p-phenylene)bis[3-(2-chloroethyl)-
- DTXSID30291828
- NSC-78515
- urea, 1,1'-(methylenedi-p-phenylene)bis[3-(2-chloroethyl)-
-
- Inchi： 1S/C19H22Cl2N4O2/c20-9-11-22-18(26)24-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)25-19(27)23-12-10-21/h1-8H,9-13H2,(H2,22,24,26)(H2,23,25,27)
- InChI Key： NPAPTMFFWIVXJJ-UHFFFAOYSA-N
- SMILES： ClCCNC(NC1C=CC(=CC=1)CC1C=CC(=CC=1)NC(NCCCl)=O)=O
Computed Properties
- Exact Mass: 408.11226
- Monoisotopic Mass: 408.1119813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 27
- Rotatable Bond Count: 8
- Complexity: 411
- 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: 3
- Topological Polar Surface Area: 82.3?2
Experimental Properties
- PSA: 82.26
- LogP: 4.92580
urea, 1,1'-(methylenedi-p-phenylene)bis[3-(2-chloroethyl)- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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