Cas no 2095-76-3 (1,3-Propanediamine, N,N-diphenyl-)
2095-76-3 structure
Product Name:1,3-Propanediamine, N,N-diphenyl-
CAS No:2095-76-3
MF:C15H18N2
MW:226.316823482513
CID:1396943
PubChem ID:20568383
Update Time:2025-04-20
1,3-Propanediamine, N,N-diphenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediamine, N,N-diphenyl-
- N',N'-diphenylpropane-1,3-diamine
- N~1~,N~1~-Diphenylpropane-1,3-diamine
- DTXSID50608818
- 2095-76-3
- SCHEMBL4595135
-
- Inchi： 1S/C15H18N2/c16-12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13,16H2
- InChI Key： FZHLWUQXXWTNCF-UHFFFAOYSA-N
- SMILES： N(C1C=CC=CC=1)(C1C=CC=CC=1)CCCN
Computed Properties
- Exact Mass: 226.14714
- Monoisotopic Mass: 226.146998583g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 175
- 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: 3
- Topological Polar Surface Area: 29.3?2
Experimental Properties
- PSA: 29.26
1,3-Propanediamine, N,N-diphenyl- Related Literature
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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