Cas no 876131-29-2 (Benzeneacetic acid, 4-(4-aminobutyl)-)
876131-29-2 structure
Product Name:Benzeneacetic acid, 4-(4-aminobutyl)-
CAS No:876131-29-2
MF:C12H17NO2
MW:207.268883466721
CID:582284
PubChem ID:22397301
Update Time:2025-04-19
Benzeneacetic acid, 4-(4-aminobutyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, 4-(4-aminobutyl)-
- 2-[4-(4-aminobutyl)phenyl]acetic acid
- [4-(4-AMINOBUTYL)PHENYL]ACETIC ACID
- ADOYWAWBUCSLEO-UHFFFAOYSA-N
- SCHEMBL2291602
- 876131-29-2
- DTXSID40625453
- 4-(4-Carboxymethylphenyl)butylamine
-
- Inchi： 1S/C12H17NO2/c13-8-2-1-3-10-4-6-11(7-5-10)9-12(14)15/h4-7H,1-3,8-9,13H2,(H,14,15)
- InChI Key： ADOYWAWBUCSLEO-UHFFFAOYSA-N
- SMILES： OC(CC1C=CC(=CC=1)CCCCN)=O
Computed Properties
- Exact Mass: 207.125928785g/mol
- Monoisotopic Mass: 207.125928785g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 186
- 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: -0.8
- Topological Polar Surface Area: 63.3?2
Benzeneacetic acid, 4-(4-aminobutyl)- Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
876131-29-2 (Benzeneacetic acid, 4-(4-aminobutyl)-) Related Products
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