Cas no 13047-58-0 (DIBUTYLAMINE BENZOATE)
DIBUTYLAMINE BENZOATE structure
Product Name:DIBUTYLAMINE BENZOATE
CAS No:13047-58-0
MF:C15H25NO2
MW:251.364504575729
CID:119233
PubChem ID:21977795
Update Time:2025-04-18
DIBUTYLAMINE BENZOATE Chemical and Physical Properties
Names and Identifiers
-
- DIBUTYLAMINE BENZOATE
- benzoic acid,N-butylbutan-1-amine
- CTK0H1788
- DI-n-BUTYLAMMONIUM BENZOATE
- 13047-58-0
- benzoic acid;N-butylbutan-1-amine
- Benzoic acid--N-butylbutan-1-amine (1/1)
- SCHEMBL5862551
- DTXSID50621042
-
- Inchi： 1S/C8H19N.C7H6O2/c1-3-5-7-9-8-6-4-2;8-7(9)6-4-2-1-3-5-6/h9H,3-8H2,1-2H3;1-5H,(H,8,9)
- InChI Key： SLOGLADXVJGNQE-UHFFFAOYSA-N
- SMILES： OC(C1C=CC=CC=1)=O.N(CCCC)CCCC
Computed Properties
- Exact Mass: 251.18900
- Monoisotopic Mass: 251.188529040g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 141
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 49.3?2
Experimental Properties
- PSA: 49.33000
- LogP: 3.95190
DIBUTYLAMINE BENZOATE Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Hui Liu,Deyong Su,Guolin Cheng,Jimin Xu,Xinyan Wang,Yuefei Hu Org. Biomol. Chem., 2010,8, 1899-1904
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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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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