Cas no 7596-95-4 (1,2-Propanediol,1,2-bis(N-phenylcarbamate))
7596-95-4 structure
Product Name:1,2-Propanediol,1,2-bis(N-phenylcarbamate)
CAS No:7596-95-4
MF:C17H18N2O4
MW:314.335824489594
CID:574387
PubChem ID:347199
Update Time:2025-04-19
1,2-Propanediol,1,2-bis(N-phenylcarbamate) Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Propanediol,1,2-bis(N-phenylcarbamate)
- 2-(phenylcarbamoyloxy)propyl N-phenylcarbamate
- (+-)-1.2-Bis-phenylcarbamoyloxy-propan
- (+-)-1.2-bis-phenylcarbamoyloxy-propane
- 1,2-Bis-phenylcarbamoyloxy-propan
- 1,2-bis-phenylcarbamoyloxy-propane
- 1,2-di-O-(phenylcarbamoyl)propanediol
- 1,2-Proopanediol, bis(N-phenylcarbamate)
- AC1L86QH
- Bisphenylurethan des (+-)-Propandiols-(1.2)
- NSC405740
- Phenyl-< 2-phenyl-carbamoyloxy-propyl> -urethan
- DTXSID50324102
- NSC-405740
- JKELYPBAPYPQIK-UHFFFAOYSA-N
- 7596-95-4
-
- Inchi： 1S/C17H18N2O4/c1-13(23-17(21)19-15-10-6-3-7-11-15)12-22-16(20)18-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,18,20)(H,19,21)
- InChI Key： JKELYPBAPYPQIK-UHFFFAOYSA-N
- SMILES： O(C(NC1C=CC=CC=1)=O)C(C)COC(NC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 314.12674
- Monoisotopic Mass: 314.127
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 7
- Complexity: 377
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 76.7?2
Experimental Properties
- PSA: 76.66
- LogP: 4.01830
1,2-Propanediol,1,2-bis(N-phenylcarbamate) Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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