CAS 535-87-5 3,5-diaminobenzoic acid (DABA) - Materials / Alfa Chemistry

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3,5-diaminobenzoic acid (DABA)

PRICE INQUIRY

Catalog Number

ACM535875

CAS Number

535-87-5

Product Name

3,5-diaminobenzoic acid (DABA)

Structure

Category

Organic Light-Emitting Diode (OLED) Materials

Description

WHITE CRYSTALS.

IUPAC Name

3,5-diaminobenzoic acid

Molecular Weight

152.15g/mol

Molecular Formula

C16H16N2O2;(C6H4NHCOCH3)2;C7H8N2O2

Canonical SMILES

C1=C(C=C(C=C1N)N)C(=O)O

InChI

InChI=1S/C7H8N2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,8-9H2,(H,10,11)

InChI Key

UENRXLSRMCSUSN-UHFFFAOYSA-N

Melting Point

228.0 °C;327-330 °C

Solubility

Solubility in water: none

Complexity

151

Covalently-Bonded Unit Count

EC Number

208-621-0

Exact Mass

152.058578g/mol

Formal Charge

Heavy Atom Count

ICSC Number

1678

Log P

1.97

MeSH Entry Terms

3,5-diaminobenzoic acid;3,5-diaminobenzoic acid, dihydrochloride;3,5-diaminobenzoic acid, monosodium salt

Monoisotopic Mass

152.058578g/mol

Rotatable Bond Count

UNII

1609U1093N

XLogP3

0.2

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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