Cas no 756796-52-8 (1-Propanol,2-[bis(2-hydroxyethyl)amino]-, (2S)-)
![1-Propanol,2-[bis(2-hydroxyethyl)amino]-, (2S)- structure](https://ossimg.kuujia.com/scimg/757000/756796-52-8x500.png)
756796-52-8 structure
Product Name:1-Propanol,2-[bis(2-hydroxyethyl)amino]-, (2S)-
CAS No:756796-52-8
MF:C7H17NO3
MW:163.214782476425
CID:549167
PubChem ID:45088758
Update Time:2025-04-19
1-Propanol,2-[bis(2-hydroxyethyl)amino]-, (2S)- Chemical and Physical Properties
Names and Identifiers
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- 1-Propanol,2-[bis(2-hydroxyethyl)amino]-, (2S)-
- 1-Propanol,2-[bis(2-hydroxyethyl)amino]-, (S)- (9CI)
- 756796-52-8
- 1-Propanol,2-[bis(2-hydroxyethyl)amino]-,(S)-(9ci)
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- Inchi： 1S/C7H17NO3/c1-7(6-11)8(2-4-9)3-5-10/h7,9-11H,2-6H2,1H3/t7-/m0/s1
- InChI Key： DNDBXYWKDTXSPJ-ZETCQYMHSA-N
- SMILES： OC[C@H](C)N(CCO)CCO
Computed Properties
- Exact Mass: 163.121
- Monoisotopic Mass: 163.121
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 83.8
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 63.9A^2
- XLogP3: -1.4
1-Propanol,2-[bis(2-hydroxyethyl)amino]-, (2S)- Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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