Methyl 4-(Methylamino)benzoate - CAS 18358-63-9

Name: Methyl 4-(Methylamino)benzoate
Brand: BOC Sciences
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Catalog:	BB014070
Product Name:	Methyl 4-(Methylamino)benzoate
CAS:	18358-63-9
Synonyms:	4-(methylamino)benzoic acid methyl ester; methyl 4-(methylamino)benzoate

Technical Data

IUPAC Name:	methyl 4-(methylamino)benzoate
Description:	Methyl 4-(Methylamino)benzoate (CAS# 18358-63-9) is used as a reagent in the synthesis of sulfonamide-containing N-hydroxyindole-2-carboxylates as inhibitors of human lactate dehydrogenase-isoform 5. Also used in the preparation of hyaluronic acid-methotrexate conjugates as antiarthritic and antiinflammatory agents.This compound is suitable for lactate dehydrogenase (LDH) related research.
Molecular Weight:	165.19
Molecular Formula:	C9H11NO2
Canonical SMILES:	CNC1=CC=C(C=C1)C(=O)OC
InChI:	InChI=1S/C9H11NO2/c1-10-8-5-3-7(4-6-8)9(11)12-2/h3-6,10H,1-2H3
InChI Key:	LLAMGYUWYUMHCH-UHFFFAOYSA-N
Boiling Point:	277.5 °C at 760 mmHg
Density:	1.125 g/cm³
Appearance:	Solid
MDL:	MFCD00017198
LogP:	1.58790

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CN-112876482-A	Polysubstituted heterocyclic derivative, preparation method and medical application thereof	20201231
WO-2021110076-A1	Oxamide derivatives, preparation method therefor and use thereof in medicine	20191204
WO-2021057818-A1	Fxia inhibitors and preparation method therefor and pharmaceutical use thereof	20190927
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Complexity:	151
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:	3
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2