Cas no 65738-49-0 (1-Propanamine, N-2-butenylidene-)
65738-49-0 structure
Product Name:1-Propanamine, N-2-butenylidene-
CAS No:65738-49-0
MF:C7H13N
MW:111.184821844101
CID:1695186
PubChem ID:54505168
Update Time:2025-04-21
1-Propanamine, N-2-butenylidene- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanamine, N-2-butenylidene-
- N-propylbut-2-en-1-imine
- (1E)-N-Propylbut-2-en-1-imine
- SCHEMBL11586272
- DTXSID40711820
- 65738-49-0
-
- Inchi： 1S/C7H13N/c1-3-5-7-8-6-4-2/h3,5,7H,4,6H2,1-2H3/b5-3?,8-7+
- InChI Key： YFEAXKKQLJPKHF-YUMLCGBTSA-N
- SMILES： N(=C/C=CC)\CCC
Computed Properties
- Exact Mass: 111.10489
- Monoisotopic Mass: 111.104799419g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 82.4
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.6
- Topological Polar Surface Area: 12.4?2
Experimental Properties
- PSA: 12.36
1-Propanamine, N-2-butenylidene- Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
65738-49-0 (1-Propanamine, N-2-butenylidene-) Related Products
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