Cas no 25642-69-7 (Carbamic acid, methyl-,3-hydroxy-2,2-diphenylpropyl ester carbamate (ester) (8CI))
25642-69-7 structure
Product Name:Carbamic acid, methyl-,3-hydroxy-2,2-diphenylpropyl ester carbamate (ester) (8CI)
CAS No:25642-69-7
MF:C18H20N2O4
MW:328.362404823303
CID:268885
PubChem ID:213163
Update Time:2025-04-19
Carbamic acid, methyl-,3-hydroxy-2,2-diphenylpropyl ester carbamate (ester) (8CI) Chemical and Physical Properties
Names and Identifiers
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- Carbamic acid, methyl-,3-hydroxy-2,2-diphenylpropyl ester carbamate (ester) (8CI)
- (3-carbamoyloxy-2,2-diphenylpropyl) N-methylcarbamate
- Methylcarbamic acid 3-hydroxy-2,2-diphenylpropyl ester carbamate (ester)
- DTXSID20180333
- 25642-69-7
- BRN 3003194
- Carbamic acid, methyl-, 3-hydroxy-2,2-diphenylpropyl ester, carbamate (ester)
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- Inchi： 1S/C18H20N2O4/c1-20-17(22)24-13-18(12-23-16(19)21,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H2,19,21)(H,20,22)
- InChI Key： IUAJSHCDVDYLAJ-UHFFFAOYSA-N
- SMILES： O(C(NC)=O)CC(COC(N)=O)(C1C=CC=CC=1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 328.14230712g/mol
- Monoisotopic Mass: 328.14230712g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 8
- Complexity: 397
- 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: 2.7
- Topological Polar Surface Area: 90.6?2
Carbamic acid, methyl-,3-hydroxy-2,2-diphenylpropyl ester carbamate (ester) (8CI) Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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