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 ℃ at 760 mmHg
Density:	1.183 g/cm³

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Related Functional Groups

Amines and Anilines

[556-90-1]
Pseudothiohydantoin
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1550-50-1]
1,1,2,2-Tetrafluoro-N,N-dimethylethanamine
[1082066-00-9]
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde
[42150-24-3]
2-(4-Pyrazolyl)ethylamine
[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride

Arenes

[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[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
[1169993-37-6]
5-Cyclopropyl-1-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazole
[1198396-39-2]
2-bromo-11,11-dimethyl-11H-Benzo[b]fluorene
[875573-66-3]
Estra-1,3,5(10)-triene-3,17-diol,7-(9-bromononyl)-,17-acetate,(7a,17b)-

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
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride

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