Cas no 126794-88-5 (Propanimidoyl chloride,2-methyl-N-(1-oxopropoxy)-)
126794-88-5 structure
Product Name:Propanimidoyl chloride,2-methyl-N-(1-oxopropoxy)-
CAS No:126794-88-5
MF:C7H12ClNO2
MW:177.628681182861
CID:225725
PubChem ID:9589286
Update Time:2025-04-19
Propanimidoyl chloride,2-methyl-N-(1-oxopropoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Propanimidoyl chloride,2-methyl-N-(1-oxopropoxy)-
- [(Z)-(1-chloro-2-methylpropylidene)amino] propanoate
- Propanimidoyl chloride, 2-methyl-N-(1-oxopropoxy)-
- 126794-88-5
- BRN 4244243
- 2-Methyl-N-(1-oxopropoxy)propanimidoyl chloride
-
- Inchi： 1S/C7H12ClNO2/c1-4-6(10)11-9-7(8)5(2)3/h5H,4H2,1-3H3/b9-7-
- InChI Key： VHDPTURMVSFFOW-CLFYSBASSA-N
- SMILES： Cl/C(/C(C)C)=N\OC(CC)=O
Computed Properties
- Exact Mass: 177.05576
- Monoisotopic Mass: 177.0556563g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 166
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- PSA: 38.66
Propanimidoyl chloride,2-methyl-N-(1-oxopropoxy)- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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