Cas no 25451-07-4 (1,3-Propanediol,2-[(dimethylamino)methyl]-2-propyl-)
![1,3-Propanediol,2-[(dimethylamino)methyl]-2-propyl- structure](https://ossimg.kuujia.com/scimg/25500/25451-07-4x500.png)
25451-07-4 structure
Product Name:1,3-Propanediol,2-[(dimethylamino)methyl]-2-propyl-
CAS No:25451-07-4
MF:C9H21NO2
MW:175.26854300499
CID:280739
PubChem ID:117495
Update Time:2025-04-19
1,3-Propanediol,2-[(dimethylamino)methyl]-2-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol,2-[(dimethylamino)methyl]-2-propyl-
- 2-[(Dimethylamino)methyl]-2-propylpropane-1,3-diol
- 2-(Dimethylaminomethyl)-2-propyl-1,3-propanediol
- DTXSID60948333
- 1,3-Propanediol, 2-(dimethylaminomethyl)-2-propyl-
- 25451-07-4
- 2-Propyl-2-diethylaminomethyl-1,3-propanediol
-
- Inchi： 1S/C9H21NO2/c1-4-5-9(7-11,8-12)6-10(2)3/h11-12H,4-8H2,1-3H3
- InChI Key： FGNBZUSQEHJNQG-UHFFFAOYSA-N
- SMILES： OCC(CO)(CN(C)C)CCC
Computed Properties
- Exact Mass: 175.15733
- Monoisotopic Mass: 175.157
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 111
- 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: 0.4
- Topological Polar Surface Area: 43.7?2
Experimental Properties
- Density: 0.976
- Boiling Point: 283.6°Cat760mmHg
- Flash Point: 124.6°C
- Refractive Index: 1.474
- PSA: 43.7
1,3-Propanediol,2-[(dimethylamino)methyl]-2-propyl- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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