Cas no 138659-57-1 (Phenol, 3-[bis(3-methylbutyl)amino]-)
![Phenol, 3-[bis(3-methylbutyl)amino]- structure](https://ossimg.kuujia.com/scimg/139000/138659-57-1x500.png)
138659-57-1 structure
Product Name:Phenol, 3-[bis(3-methylbutyl)amino]-
CAS No:138659-57-1
MF:C16H27NO
MW:249.391684770584
CID:1254606
PubChem ID:54475995
Update Time:2025-04-20
Phenol, 3-[bis(3-methylbutyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 3-[bis(3-methylbutyl)amino]-
- 3-[bis(3-methylbutyl)amino]phenol
- 138659-57-1
- DTXSID60711600
- SCHEMBL8084726
-
- Inchi： 1S/C16H27NO/c1-13(2)8-10-17(11-9-14(3)4)15-6-5-7-16(18)12-15/h5-7,12-14,18H,8-11H2,1-4H3
- InChI Key： XLPKSXCKPQTKGC-UHFFFAOYSA-N
- SMILES： OC1=CC=CC(=C1)N(CCC(C)C)CCC(C)C
Computed Properties
- Exact Mass: 249.20941
- Monoisotopic Mass: 249.209264485g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 203
- 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: 4.9
- Topological Polar Surface Area: 23.5?2
Experimental Properties
- PSA: 23.47
Phenol, 3-[bis(3-methylbutyl)amino]- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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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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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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