Cas no 145218-96-8 (Benzoic acid,2-amino-5-methyl-, 2-propen-1-yl ester)
145218-96-8 structure
Product Name:Benzoic acid,2-amino-5-methyl-, 2-propen-1-yl ester
CAS No:145218-96-8
MF:C11H13NO2
MW:191.226423025131
CID:101791
PubChem ID:19432479
Update Time:2025-04-18
Benzoic acid,2-amino-5-methyl-, 2-propen-1-yl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-amino-5-methyl-, 2-propen-1-yl ester
- 145218-96-8
- Benzoic acid, 2-amino-5-methyl-, 2-propenyl ester (9CI)
- Allyl 2-amino-5-methylbenzoate
- prop-2-enyl 2-amino-5-methylbenzoate
- SCHEMBL8786921
- NCSVVRGSQAMBEG-UHFFFAOYSA-N
-
- Inchi： 1S/C11H13NO2/c1-3-6-14-11(13)9-7-8(2)4-5-10(9)12/h3-5,7H,1,6,12H2,2H3
- InChI Key： NCSVVRGSQAMBEG-UHFFFAOYSA-N
- SMILES： O(CC=C)C(C1C=C(C)C=CC=1N)=O
Computed Properties
- Exact Mass: 191.09469
- Monoisotopic Mass: 191.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 215
- 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
- Topological Polar Surface Area: 52.3A^2
- XLogP3: 2.7
Experimental Properties
- PSA: 52.32
Benzoic acid,2-amino-5-methyl-, 2-propen-1-yl ester Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
145218-96-8 (Benzoic acid,2-amino-5-methyl-, 2-propen-1-yl ester) Related Products
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