Cas no 85153-53-3 (n,n-diethyl-3-oxobutyramide hydrochloride)
85153-53-3 structure
Product Name:n,n-diethyl-3-oxobutyramide hydrochloride
CAS No:85153-53-3
MF:C8H16ClNO2
MW:193.671141624451
CID:887392
PubChem ID:3020440
Update Time:2025-04-19
n,n-diethyl-3-oxobutyramide hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- n,n-diethyl-3-oxobutyramide hydrochloride
- N,N-diethyl-3-oxobutanamide,hydrochloride
- EINECS 285-835-0
- Butanamide, N,N-diethyl-3-oxo-, hydrochloride
- GW88ZH4G4W
- NS00092430
- DTXSID50234297
- Butanamide, N,N-diethyl-3-oxo-, hydrochloride (1:1)
- 85153-53-3
-
- Inchi： 1S/C8H15NO2.ClH/c1-4-9(5-2)8(11)6-7(3)10;/h4-6H2,1-3H3;1H
- InChI Key： CJCNCCAZYAUMAB-UHFFFAOYSA-N
- SMILES： Cl.O=C(CC(C)=O)N(CC)CC
Computed Properties
- Exact Mass: 193.0869564g/mol
- Monoisotopic Mass: 193.0869564g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 150
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 37.4?2
n,n-diethyl-3-oxobutyramide hydrochloride Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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