Cas no 56975-13-4 (DI-Alkanolamine)
DI-Alkanolamine structure
Product Name:DI-Alkanolamine
CAS No:56975-13-4
MF:C16H35NO2
MW:273.454605340958
CID:946280
PubChem ID:18332274
Update Time:2025-04-19
DI-Alkanolamine Chemical and Physical Properties
Names and Identifiers
-
- DI-Alkanolamine
- 1-[(2-Hydroxyethyl)amino]tetradecan-2-ol
- 2-tetradecanol, 1-[(2-hydroxyethyl)amino]-
- LogP
- DTXSID701274374
- SCHEMBL968428
- 1-[(2-Hydroxyethyl)amino]-2-tetradecanol
- CHEMBL3758744
- 56975-13-4
- 1-(2-hydroxyethylamino)tetradecan-2-ol
- IEXSDLUUGZIKLK-UHFFFAOYSA-N
-
- Inchi： 1S/C16H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-16(19)15-17-13-14-18/h16-19H,2-15H2,1H3
- InChI Key： IEXSDLUUGZIKLK-UHFFFAOYSA-N
- SMILES： OC(CNCCO)CCCCCCCCCCCC
Computed Properties
- Exact Mass: 273.26695
- Monoisotopic Mass: 273.266779359g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 15
- Complexity: 165
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.6
- Topological Polar Surface Area: 52.5?2
Experimental Properties
- PSA: 52.49
DI-Alkanolamine Related Literature
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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