Cas no 51834-70-9 (Butanamide,N-(2-chloroethyl)-)
Butanamide,N-(2-chloroethyl)- structure
Product Name:Butanamide,N-(2-chloroethyl)-
CAS No:51834-70-9
MF:C6H12ClNO
MW:149.618580818176
CID:377470
PubChem ID:148544
Update Time:2025-04-19
Butanamide,N-(2-chloroethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Butanamide,N-(2-chloroethyl)-
- N-(2-chloroethyl)butanamide
- SCHEMBL11538335
- N-(2-chloroethyl)butaneamide
- Butanamide, N-(2-chloroethyl)-
- 51834-70-9
- AKOS010541606
- DTXSID10199797
-
- Inchi： 1S/C6H12ClNO/c1-2-3-6(9)8-5-4-7/h2-5H2,1H3,(H,8,9)
- InChI Key： PVHGMFCSVYUJHX-UHFFFAOYSA-N
- SMILES： ClCCNC(CCC)=O
Computed Properties
- Exact Mass: 149.06086
- Monoisotopic Mass: 149.061
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 85.1
- 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
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 1
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- Density: 1.032
- Boiling Point: 283.1°Cat760mmHg
- Flash Point: 125°C
- Refractive Index: 1.441
- PSA: 29.1
Butanamide,N-(2-chloroethyl)- Related Literature
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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