Cas no 78950-33-1 (Benzoic acid,3-(aminocarbonyl)-, ethyl ester)
78950-33-1 structure
Product Name:Benzoic acid,3-(aminocarbonyl)-, ethyl ester
CAS No:78950-33-1
MF:C10H11NO3
MW:193.199242830276
CID:564940
PubChem ID:157280
Update Time:2025-04-19
Benzoic acid,3-(aminocarbonyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3-(aminocarbonyl)-, ethyl ester
- ethyl 3-carbamoylbenzoate
- SCHEMBL6894580
- Benzoic acid, 3-(aminocarbonyl)-, ethyl ester
- Benzoic acid,3-(aminocarbonyl)-,ethyl ester
- 78950-33-1
- DTXSID90229405
-
- Inchi： 1S/C10H11NO3/c1-2-14-10(13)8-5-3-4-7(6-8)9(11)12/h3-6H,2H2,1H3,(H2,11,12)
- InChI Key： RWVSOIZWYBOQJJ-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=CC=C(C(N)=O)C=1)=O
Computed Properties
- Exact Mass: 193.074
- Monoisotopic Mass: 193.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 227
- 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: 1.5
- Topological Polar Surface Area: 69.4?2
Experimental Properties
- Density: 1.188
- Boiling Point: 330.6°C at 760 mmHg
- Flash Point: 164.8°C
- Refractive Index: 1.547
Benzoic acid,3-(aminocarbonyl)-, ethyl ester Related Literature
-
Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
-
Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
-
Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
-
Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
78950-33-1 (Benzoic acid,3-(aminocarbonyl)-, ethyl ester) Related Products
- 6757-31-9(Methyl 4-carbamoylbenzoate)
- 366-84-7(Ethyl 4-(aminomethyl)benzoate)
- 106748-24-7(Methyl 3-carbamoylbenzoate)
- 85118-25-8(5-Carbamoylphthalide)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
Recommended suppliers
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Zhejiang Brunova Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
鉅瀾化工科技(青島)有限公司
Gold Member
Audited Supplier
CN Supplier
Bulk
