Methyl 5-Amino-2,4-dimethylbenzoate - CAS 140112-97-6

Name: Methyl 5-Amino-2,4-dimethylbenzoate
Brand: BOC Sciences
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Catalog:	BB009035
Product Name:	Methyl 5-Amino-2,4-dimethylbenzoate
CAS:	140112-97-6
Synonyms:	5-amino-2,4-dimethylbenzoic acid methyl ester; methyl 5-amino-2,4-dimethylbenzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 5-amino-2,4-dimethylbenzoate
Description:	Methyl 5-Amino-2,4-dimethylbenzoate (CAS# 140112-97-6) is a useful research chemical.
Molecular Weight:	179.22
Molecular Formula:	C10H13NO2
Canonical SMILES:	CC1=CC(=C(C=C1C(=O)OC)N)C
InChI:	InChI=1S/C10H13NO2/c1-6-4-7(2)9(11)5-8(6)10(12)13-3/h4-5H,11H2,1-3H3
InChI Key:	UGIWJVRYBRJDGI-UHFFFAOYSA-N
Boiling Point:	300.812 °C at 760 mmHg
Density:	1.105 g/cm³
Storage:	Keep in dark place, Sealed in dry, 2-8 °C
LogP:	2.25340

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Related Functional Groups

Amines and Anilines

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2-(Pyridin-3-ylmethoxy)aniline dihydrochloride

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021011724-A1	Tricyclic heteroaryl compounds useful as irak4 inhibitors	20190718
KR-102082504-B1	Novel compound having malate dehydrogenases (MDH)-inhibitory activity and pharmaceutical composition for preventing or treating cancer comprising the same as an active ingredient	20170309
KR-20180103735-A	Novel compound having malate dehydrogenases (MDH)-inhibitory activity and pharmaceutical composition for preventing or treating cancer comprising the same as an active ingredient	20170309
US-2020031764-A1	Novel compound having malate dehydrogenase inhibitory activity and pharmaceutical composition for preventing or treating cancer comprising same as active ingredient	20170309
WO-2018164549-A1	Novel compound having malate dehydrogenase inhibitory activity and pharmaceutical composition for preventing or treating cancer comprising same as active ingredient	20170309

Complexity:	193
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:	2
Topological Polar Surface Area:	52.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8