Cas no 250374-96-0 (Benzenepropanoic acid, b-amino-4-butyl-)
250374-96-0 structure
Product Name:Benzenepropanoic acid, b-amino-4-butyl-
CAS No:250374-96-0
MF:C13H19NO2
MW:221.29546380043
CID:246281
PubChem ID:4643690
Update Time:2025-04-19
Benzenepropanoic acid, b-amino-4-butyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanoic acid, b-amino-4-butyl-
- 3-Amino-3-(4-butylphenyl)propanoic acid
- 3-Amino-3-(4-butylphenyl)-propionic acid
- 3-Amino-3-(4-butyl-phenyl)-propionic acid
- 3-Amino-3-(4-butylphenyl)propionicacid
- AC1NEKEC
- AG-E-75506
- BB 0249723
- CTK4F4861
- SureCN2860407
- SCHEMBL2860407
- 250374-96-0
- 3-AMINO-3-(4-BUTYLPHENYL)-PROPIONICACID
- DTXSID00405172
- Benzenepropanoic acid, beta-amino-4-butyl-
-
- MDL： MFCD02663201
- Inchi： 1S/C13H19NO2/c1-2-3-4-10-5-7-11(8-6-10)12(14)9-13(15)16/h5-8,12H,2-4,9,14H2,1H3,(H,15,16)
- InChI Key： OADWRZPIUCUUOK-UHFFFAOYSA-N
- SMILES： OC(CC(C1C=CC(=CC=1)CCCC)N)=O
Computed Properties
- Exact Mass: 221.14167
- Monoisotopic Mass: 221.141578849g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 210
- 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
- XLogP3: 0.5
- Topological Polar Surface Area: 63.3?2
Experimental Properties
- PSA: 63.32
Benzenepropanoic acid, b-amino-4-butyl- Related Literature
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
250374-96-0 (Benzenepropanoic acid, b-amino-4-butyl-) Related Products
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