Methyl 2-Amino-5-methylbenzoate - CAS 18595-16-9

Catalog:	BB014259
Product Name:	Methyl 2-Amino-5-methylbenzoate
CAS:	18595-16-9
Synonyms:	2-amino-5-methylbenzoic acid methyl ester; methyl 2-amino-5-methylbenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-amino-5-methylbenzoate
Description:	A useful synthetic intermediate.
Molecular Weight:	165.19
Molecular Formula:	C9H11NO2
Canonical SMILES:	CC1=CC(=C(C=C1)N)C(=O)OC
InChI:	InChI=1S/C9H11NO2/c1-6-3-4-8(10)7(5-6)9(11)12-2/h3-5H,10H2,1-2H3
InChI Key:	MDHYFUPTSWXVIA-UHFFFAOYSA-N
Boiling Point:	271.4 °C at 760 mmHg
Density:	1.132 g/cm³
MDL:	MFCD00661547
LogP:	1.94500

Publication Number	Title	Priority Date
WO-2021018173-A1	Adenosine receptor antagonist	20190730
WO-2020225330-A1	Dhodh inhibitors and their use as antiviral agents	20190507
WO-2020138015-A1	Pyrazolo[1,5-a]pyrimidine macrocyclic compound	20181227
WO-2020033944-A2	Non-polyamine based polyamine transport inhibitors and their use in the treatment of human cancers	20180810
EP-3833352-A2	Non-polyamine based polyamine transport inhibitors and their use in the treatment of human cancers	20180810

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	170
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.078978594
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	165.078978594
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2