Cas no 76765-60-1 (Benzoic acid,3-amino-4-methyl-, phenyl ester)
76765-60-1 structure
Product Name:Benzoic acid,3-amino-4-methyl-, phenyl ester
CAS No:76765-60-1
MF:C14H13NO2
MW:227.258523702621
CID:570375
PubChem ID:3018677
Update Time:2025-04-19
Benzoic acid,3-amino-4-methyl-, phenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3-amino-4-methyl-, phenyl ester
- Phenyl 3-amino-4-methylbenzoate
- EINECS 278-546-6
- DTXSID10998080
- NS00058636
- 76765-60-1
- SCHEMBL11140597
-
- Inchi： 1S/C14H13NO2/c1-10-7-8-11(9-13(10)15)14(16)17-12-5-3-2-4-6-12/h2-9H,15H2,1H3
- InChI Key： FLDBLKUKZWISKY-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)C(C1C=CC(C)=C(C=1)N)=O
Computed Properties
- Exact Mass: 227.095
- Monoisotopic Mass: 227.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 261
- 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: 3
- Topological Polar Surface Area: 52.3?2
Experimental Properties
- Density: 1.187
- Boiling Point: 419.9°C at 760 mmHg
- Flash Point: 248.1°C
- Refractive Index: 1.616
Benzoic acid,3-amino-4-methyl-, phenyl ester Related Literature
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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