Cas no 25480-67-5 (1,3-Propanediol,2-benzyl-, dicarbamate (8CI))
25480-67-5 structure
Product Name:1,3-Propanediol,2-benzyl-, dicarbamate (8CI)
CAS No:25480-67-5
MF:C12H16N2O4
MW:252.266443252563
CID:256301
PubChem ID:213098
Update Time:2025-04-19
1,3-Propanediol,2-benzyl-, dicarbamate (8CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol,2-benzyl-, dicarbamate (8CI)
- (2-benzyl-3-carbamoyloxypropyl) carbamate
- 1,3-Propanediol, 2-benzyl-, dicarbamate
- 2-Benzyl-1,3-propanediol dicarbamate
- 25480-67-5
- DTXSID30180167
- BRN 2133115
-
- Inchi： 1S/C12H16N2O4/c13-11(15)17-7-10(8-18-12(14)16)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,13,15)(H2,14,16)
- InChI Key： DAMWBEZPZUAGIM-UHFFFAOYSA-N
- SMILES： O(C(N)=O)CC(COC(N)=O)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 252.11108
- Monoisotopic Mass: 252.111007
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 8
- Complexity: 259
- 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: 105
- XLogP3: 1.1
Experimental Properties
- Density: 1.242
- Boiling Point: 522°C at 760 mmHg
- Flash Point: 282.7°C
- Refractive Index: 1.552
- PSA: 104.64
1,3-Propanediol,2-benzyl-, dicarbamate (8CI) Related Literature
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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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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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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