Ethyl 4-Formamidobenzoate - CAS 5422-63-9

Catalog:	BB028564
Product Name:	Ethyl 4-Formamidobenzoate
CAS:	5422-63-9
Synonyms:	4-formamidobenzoic acid ethyl ester; ethyl 4-formamidobenzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 4-formamidobenzoate
Description:	Ethyl 4-Formamidobenzoate (CAS# 5422-63-9) is a degradation product of Benzocaine (B202970); a compound that is used as an anesthetic (local).
Molecular Weight:	193.20
Molecular Formula:	C10H11NO3
Canonical SMILES:	CCOC(=O)C1=CC=C(C=C1)NC=O
InChI:	InChI=1S/C10H11NO3/c1-2-14-10(13)8-3-5-9(6-4-8)11-7-12/h3-7H,2H2,1H3,(H,11,12)
InChI Key:	XXNAVWORVSFFAD-UHFFFAOYSA-N
Boiling Point:	371.3 °C at 760 mmHg
Density:	1.202 g/cm³
MDL:	MFCD00021025
LogP:	2.14050

Publication Number	Title	Priority Date
WO-2008121602-A1	Chemical compounds	20070329
AU-2004298436-A1	Hydronopol derivatives as agonists on human ORL1 receptors	20031212
CA-2547633-A1	Hydronopol derivatives as agonists on human orl1 receptors	20031212
RU-2351600-C2	Hydronopole derivatives as agonists to orl1 human receptors	20031212
US-2005131004-A1	Hydronopol derivatives as agonists on human ORL1 receptors	20031212

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[17746-05-3]
Undecanoyl chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide
[108397-75-7]
2,4,6-Trimethylpyrimidine-5-carboxylic Acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501
Signal Word:	Warning

Complexity:	198
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.07389321
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	193.07389321
Rotatable Bond Count:	4
Topological Polar Surface Area:	55.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5