1,3-Benzenedicarboxamide

CAT: 1299-RG-E140812-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-E140812-01Size:10 mg

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CAS Number

1740-57-4

Synonyms

1,3-Benzenedicarboxamide

Molecular Formula

C8H8N2O2

Molecular Weight

164.16

Product Name Synonym

1,3-Benzenedicarboxamide

Chemical Information

Isophthalamide

Isophthalamide is a benzenedicarboxamide. It is functionally related to an isophthalic acid.

CAS Number	1740-57-4
PubChem CID	74445
IUPAC Name	benzene-1,3-dicarboxamide
Molecular Formula	C8H8N2O2
Molecular Weight	164.16
XLogP	-0.2
Topological Polar Surface Area	86.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	183

SMILES

C1=CC(=CC(=C1)C(=O)N)C(=O)N

InChI

InChI=1S/C8H8N2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H,(H2,9,11)(H2,10,12)

InChIKey

QZUPTXGVPYNUIT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1740-57-4

CID: 74445

Formula: C8H8N2O2

MW: 164.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.16
XLogP3	-0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	164.058577502
Monoisotopic Mass	164.058577502
Topological Polar Surface Area	86.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	183
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RG-A261561-01	1,3-Diethoxy-1,1,3,3-Tetramethyldisiloxane
RG-T052054-01	1,1,3,3-Tetramethylurea
RG-T052013-01	1,1,3,3-Tetramethylguanidine
RG-T052070-01	1,1,3,3-Tetramethyldisiloxane
RG-A260627-01	1,1,3,3-Tetrabromoacetone
RG-A260149-01	2- (Chloromethoxy) -1,1,1,3,3,3-Hexafluoropropane
RG-A261734-01	1,1,1,3,3,3-Hexabromopropan-2-One
RG-D090348-01	1,3-Dichloro-1,1,2,2,3,3-Hexafluoropropane
RG-D092007-01	1,3-Di-Tert-Butyl-1,1,3,3-Tetramethyldisiloxane
RG-A261286-01	1,3-Diethyl-1,3-Dimethylurea

Catalog	Name
FD177651-01	2,3-Dihydroxy-N1, N4-dipropyl-1,4-benzenedicarboxamide
TRC-B426600-5G	N,N’-Bis(2,3-dihydroxypropyl)-5-nitro-1,3-benzenedicarboxamide
sc-503814	N, N′-Bis (2,3-dihydroxypropyl) -5-nitro-1,3-benzenedicarboxamide
FA17102-01	5- (Acetylamino) -N, N'-bis (2,3-dihydroxypropyl) -2,4,6-triiodo-1,3-benzenedicarboxamide
TRC-A168180-100MG	5-(Acetylamino)-N,N’-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
sc-479811	5-Amino-N, N′-bis (2,3-dihydroxypropyl) -2,4,6-triiodo-1,3-benzenedicarboxamide
FA32940-01	5-Amino-N, N'-bis (2,3-dihydroxypropyl) -2,4,6-triiodo-1,3-benzenedicarboxamide
TRC-A601920-250MG	5-Amino-N,N’-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
A0202-11	5- (Acetylamino) -N, N’-bis (2,3-dihydroxypropyl) -2,4,6-triiodo-1,3-benzenedicarboxamide (Hydrolysate)
161806	5-Amino-N, N’-bis (2,3-dihydroxypropyl) -2,4,6-triiodo-1,3-benzenedicarboxamide Tetraacetate