Cas no 55792-44-4 (2-(heptyloxy)aniline)
2-(heptyloxy)aniline structure
Product Name:2-(heptyloxy)aniline
CAS No:55792-44-4
MF:C13H21NO
MW:207.311943769455
CID:1595589
PubChem ID:152776
Update Time:2025-04-21
2-(heptyloxy)aniline Chemical and Physical Properties
Names and Identifiers
-
- 2-(heptyloxy)aniline
- Benzenamine, 2-(heptyloxy)-
- 2-heptoxyaniline
- 55792-44-4
- AKOS000102663
- DTXSID10204370
- SCHEMBL18049454
-
- Inchi： 1S/C13H21NO/c1-2-3-4-5-8-11-15-13-10-7-6-9-12(13)14/h6-7,9-10H,2-5,8,11,14H2,1H3
- InChI Key： WJSHCVRUYNERKZ-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1N)CCCCCCC
Computed Properties
- Exact Mass: 207.16243
- Monoisotopic Mass: 207.162314293g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
- Complexity: 150
- 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: 4.1
- Topological Polar Surface Area: 35.2?2
Experimental Properties
- PSA: 35.25
2-(heptyloxy)aniline Related Literature
-
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
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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