Isobutyl 2-(Methylamino)benzoate - CAS 65505-24-0

Catalog:	BB032747
Product Name:	Isobutyl 2-(Methylamino)benzoate
CAS:	65505-24-0
Synonyms:	2-(methylamino)benzoic acid 2-methylpropyl ester; 2-methylpropyl 2-(methylamino)benzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	2-methylpropyl 2-(methylamino)benzoate
Description:	Isobutyl 2-(Methylamino)benzoate (CAS# 65505-24-0 ) is a useful research chemical.
Molecular Weight:	207.27
Molecular Formula:	C12H17NO2
Canonical SMILES:	CC(C)COC(=O)C1=CC=CC=C1NC
InChI:	InChI=1S/C12H17NO2/c1-9(2)8-15-12(14)10-6-4-5-7-11(10)13-3/h4-7,9,13H,8H2,1-3H3
InChI Key:	WKYZGTHZBSYUFI-UHFFFAOYSA-N
Boiling Point:	296.9 °C at 760 mmHg
Flash Point:	133.4°C
Density:	1.053 g/cm³
Solubility:	Very slightly soluble in water
Appearance:	Yellowish solid
LogP:	2.61410
Refractive Index:	1.537

Publication Number	Title	Priority Date
WO-2021019373-A4	Nitenin analogue compounds and their use in the treatment of chronic and acute pain	20190731
WO-2019243869-A1	Protective agent for food products and the like and for curing and/or storage rooms of the same	20180619
EP-3809876-A1	Protective agent for food products and the like and for curing and/or storage rooms of the same	20180619
AU-2018204615-A1	A granular composition	20170705
AU-2021105433-A4	A granular composition	20170705

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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
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

Complexity:	204
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.125928785
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	207.125928785
Rotatable Bond Count:	5
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6