Cas no 1379185-95-1 (3-(3-amino-4-ethylphenyl)propanoic acid)
1379185-95-1 structure
Product Name:3-(3-amino-4-ethylphenyl)propanoic acid
CAS No:1379185-95-1
MF:C11H15NO2
MW:193.242303133011
CID:1006610
PubChem ID:53429852
Update Time:2025-04-20
3-(3-amino-4-ethylphenyl)propanoic acid Chemical and Physical Properties
Names and Identifiers
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- 3-(3-amino-4-ethylphenyl)propanoic acid
- 1379185-95-1
-
- MDL： MFCD09999426
- Inchi： 1S/C11H15NO2/c1-2-9-5-3-8(7-10(9)12)4-6-11(13)14/h3,5,7H,2,4,6,12H2,1H3,(H,13,14)
- InChI Key： GBIRWKLKMGZKQS-UHFFFAOYSA-N
- SMILES： OC(CCC1C=CC(CC)=C(C=1)N)=O
Computed Properties
- Exact Mass: 193.110278721g/mol
- Monoisotopic Mass: 193.110278721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 194
- 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: 1.8
- Topological Polar Surface Area: 63.3?2
3-(3-amino-4-ethylphenyl)propanoic acid 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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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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