Ethyl 4-Amino-3-methylbenzoate - CAS 40800-65-5

Catalog:	BB024671
Product Name:	Ethyl 4-Amino-3-methylbenzoate
CAS:	40800-65-5
Synonyms:	4-amino-3-methylbenzoic acid ethyl ester; ethyl 4-amino-3-methylbenzoate

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	ethyl 4-amino-3-methylbenzoate
Description:	Ethyl 4-Amino-3-methylbenzoate (CAS# 40800-65-5) is a useful research chemical.
Molecular Weight:	179.22
Molecular Formula:	C10H13NO2
Canonical SMILES:	CCOC(=O)C1=CC(=C(C=C1)N)C
InChI:	InChI=1S/C10H13NO2/c1-3-13-10(12)8-4-5-9(11)7(2)6-8/h4-6H,3,11H2,1-2H3
InChI Key:	JUKRQDBAJXYXIR-UHFFFAOYSA-N
Boiling Point:	327 °C at 760 mmHg
Density:	1.103 g/cm³
Appearance:	Brown powder
MDL:	MFCD03788450
LogP:	2.33510

Publication Number	Title	Priority Date
WO-2021018173-A1	Adenosine receptor antagonist	20190730
CN-109761817-A	The synthetic method of Nefiracetam intermediate 2,6- dimethylaniline	20190122
CN-108329269-A	Deuterated methyl Telmisartan and its preparation method and application	20180312
AU-2017229129-A1	Thiazolidinone compounds and use thereof	20160307
CA-3015914-A1	Thiazolidinone compounds and use thereof	20160307

PMID	Publication Date	Title	Journal
21202278	20080402	Ethyl 4-amino-3-methyl-benzoate	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	182
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.094628657
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	179.094628657
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8