Cas no 1709-06-4 ( )
structure
Product Name:
CAS No:1709-06-4
MF:C6H12ClNO3
MW:181.617381095886
CID:905357
PubChem ID:350565
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- TWASTFFGKLUULN-UHFFFAOYSA-N
- 1709-06-4
- SCHEMBL1954208
- N,N-bis(2-hydroxyethyl)-2-chloroacetamide
- 2-chloro-N,N-bis(2-hydroxyethyl)acetamide
- NSC-512701
- DTXSID20325601
- Acetamide, 2-chloro-N,N-bis(2-hydroxyethyl)-
- NSC512701
-
-
- Inchi： 1S/C6H12ClNO3/c7-5-6(11)8(1-3-9)2-4-10/h9-10H,1-5H2
- InChI Key： TWASTFFGKLUULN-UHFFFAOYSA-N
- SMILES： ClCC(N(CCO)CCO)=O
Computed Properties
- Exact Mass: 181.05066
- Monoisotopic Mass: 181.0505709g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 114
- 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: -1
- Topological Polar Surface Area: 60.8?2
Experimental Properties
- PSA: 60.77
Related Literature
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
-
Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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