Cas no 16623-25-9 (2-(3-Aminobenzyl)butanoic acid)
16623-25-9 structure
Product Name:2-(3-Aminobenzyl)butanoic acid
CAS No:16623-25-9
MF:C11H15NO2
MW:193.242303133011
CID:173784
PubChem ID:83986
Update Time:2025-04-19
2-(3-Aminobenzyl)butanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-(3-Aminobenzyl)butanoic acid
- 2-(m-aminobenzyl)butyric acid
- 2-[(3-aminophenyl)methyl]butanoic acid
- Benzenepropanoic acid,3-amino-a-ethyl-
- Einecs 240-671-9
- 3-Amino-α-ethylbenzenepropionic acid
- A-(3-AMINOBENYL)BUTYRIC ACID HYDROCHLORIDE
- α-(3-Aminobenzyl)butyric acid hydrochloride
- 3-Amino-ethylbenzenepropanoica acid hydrochloride
- SCHEMBL1068216
- DTXSID10937176
- NS00052732
- 16623-25-9
-
- Inchi： 1S/C11H15NO2/c1-2-9(11(13)14)6-8-4-3-5-10(12)7-8/h3-5,7,9H,2,6,12H2,1H3,(H,13,14)
- InChI Key： ZRRVWPUAOKIETO-UHFFFAOYSA-N
- SMILES： OC(C(CC)CC1C=CC=C(C=1)N)=O
Computed Properties
- Exact Mass: 193.11035
- Monoisotopic Mass: 193.11
- 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 : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 63.3A^2
- XLogP3: 1.9
Experimental Properties
- Density: 1.143
- Boiling Point: 367.1°C at 760 mmHg
- Flash Point: 175.8°C
- Refractive Index: 1.569
- PSA: 63.32
2-(3-Aminobenzyl)butanoic acid Related Literature
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2. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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