Cas no 52994-21-5 (1,3-Propanediamine,N1,N1-diethyl-N3-phenyl-)
52994-21-5 structure
Product Name:1,3-Propanediamine,N1,N1-diethyl-N3-phenyl-
CAS No:52994-21-5
MF:C13H22N2
MW:206.327183246613
CID:381557
PubChem ID:410605
Update Time:2025-04-19
1,3-Propanediamine,N1,N1-diethyl-N3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediamine,N1,N1-diethyl-N3-phenyl-
- 1,3-Propanediamine,N,N-diethyl-N'-phenyl- (6CI,9CI)
- 3-Anilino-N,N-diethylpropionamide
- AC 1617
- N,N-Diethyl-N'-phenyl-1,3-propanediamine
- N',N'-diethyl-N-phenyl-propane-1,3-diamine
- 52994-21-5
- SCHEMBL251235
- AKOS011861310
- N1,N1-Diethyl-N3-phenylpropane-1,3-diamine
-
- Inchi： 1S/C13H22N2/c1-3-15(4-2)12-8-11-14-13-9-6-5-7-10-13/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3
- InChI Key： WXFNPHZNUUIRFT-UHFFFAOYSA-N
- SMILES： N(CC)(CC)CCCNC1C=CC=CC=1
Computed Properties
- Exact Mass: 206.17846
- Monoisotopic Mass: 206.178298710g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
- Complexity: 138
- 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: 2.7
- Topological Polar Surface Area: 15.3?2
Experimental Properties
- PSA: 15.27
1,3-Propanediamine,N1,N1-diethyl-N3-phenyl- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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