Diethyl 5-aminoisophthalate hydrochloride - CAS 42122-73-6

Catalog:	BB045548
Product Name:	Diethyl 5-aminoisophthalate hydrochloride
CAS:	42122-73-6
Synonyms:	1,3-diethyl 5-aminobenzene-1,3-dicarboxylate hydrochloride; Triethyleneglycolbis(3-tert-butyl-4-hydroxy-5-methylphenyl)propionate

Technical Data

Computed Properties

IUPAC Name:	diethyl 5-aminobenzene-1,3-dicarboxylate;hydrochloride
Description:	Diethyl 5-aminoisophthalate hydrochloride (CAS# 42122-73-6 ) is a useful research chemical.
Molecular Weight:	273.71
Molecular Formula:	C12H16ClNO4
Canonical SMILES:	CCOC(=O)C1=CC(=CC(=C1)N)C(=O)OCC.Cl
InChI:	InChI=1S/C12H15NO4.ClH/c1-3-16-11(14)8-5-9(7-10(13)6-8)12(15)17-4-2;/h5-7H,3-4,13H2,1-2H3;1H
InChI Key:	KROZITDVWZMYOC-UHFFFAOYSA-N
Boiling Point:	388.7 °C at 760 mmHg
Density:	1.183 g/cm³

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Related Functional Groups

Amines and Anilines

[556-90-1]
Pseudothiohydantoin
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1431966-58-3]
2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[328270-02-6]
2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Arenes

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[751-38-2]
1,2,3,4-Tetraphenylnaphthalene
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[90817-87-1]
5,6,7-trimethyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one
[843673-72-3]
(R)-4-(1-((tert-Butoxycarbonyl)amino)-2-hydroxyethyl)phenyl trifluoromethanesulfonate
[610-74-2]
2,5-diaminobenzoic acid

Carbonyl Compounds

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[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)-
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

Halides

[134005-20-2]
(Z)-1,3-Diiodo-2-butene
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[199114-62-0]
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one

Complexity:	254
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	273.0767857
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	273.0767857
Rotatable Bond Count:	6
Topological Polar Surface Area:	78.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0