Cas no 96495-14-6 (1,3-Propanediamine, N-octadecyl-, acetate)
96495-14-6 structure
Product Name:1,3-Propanediamine, N-octadecyl-, acetate
CAS No:96495-14-6
MF:C23H50N2O2
MW:386.655307292938
CID:734656
PubChem ID:71331488
Update Time:2025-04-19
1,3-Propanediamine, N-octadecyl-, acetate Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediamine, N-octadecyl-, acetate
- acetic acid,N'-octadecylpropane-1,3-diamine
- Q27279134
- Acetic acid--N~1~-octadecylpropane-1,3-diamine (1/1)
- 96495-14-6
- 1,3-Propanediamine, N1-octadecyl-, acetate (1:?)
- N-Stearyl-1,3-propanediamine monoacetate
- GK4O2J3B7Y
- DTXSID70760068
- N-Octadecyl-1,3-propanediamine monoacetate
- Acetic acid, N'-octadecylpropane-1,3-diamine
- SCHEMBL134140
- UNII-GK4O2J3B7Y
-
- Inchi： 1S/C21H46N2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22;1-2(3)4/h23H,2-22H2,1H3;1H3,(H,3,4)
- InChI Key： RTLOXMZIXBFVEA-UHFFFAOYSA-N
- SMILES： OC(C)=O.N(CCCN)CCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 386.38722884g/mol
- Monoisotopic Mass: 386.38722884g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 27
- Rotatable Bond Count: 20
- Complexity: 225
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 75.4?2
1,3-Propanediamine, N-octadecyl-, acetate Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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