3,5-Dimethoxyaniline

Inquiry

Molecular Formula:

C8H11NO2

Molecular Weight:

153.18

CAS Number:

10272-07-8

Catalog Number:

10272-07-8

Product Information

Molecular Formula:

C8H11NO2

Molecular Weight:

153.18

Description

3,5-Dimethoxyaniline (CAS# 10272-07-8) is a compound useful in organic synthesis.

Synonyms

3,5-dimethoxyaniline

IUPAC Name

3,5-dimethoxyaniline

Canonical SMILES

COC1=CC(=CC(=C1)N)OC

InChI

InChI=1S/C8H11NO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,9H2,1-2H3

InChI Key

WNRGWPVJGDABME-UHFFFAOYSA-N

Boiling Point

178 °C (20 mmHg)

Melting Point

54-57 °C

Flash Point

135 °C (C.C)

Purity

95 %

Density

1.096 g/cm³

Appearance

White to beige-brownish powder or needles

Storage

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

LogP

1.86720

Safety Information

Hazards

H302 H315 H319 H335

Precautionary Statement

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

XLogP3

1.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

153.078978594 g/mol

Monoisotopic Mass

153.078978594 g/mol

Topological Polar Surface Area

44.5Å²

Heavy Atom Count

Formal Charge

Complexity

107

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

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Literatures

PMID	Publication Date	Title	Journal
22346902	2012-02-01	1-(3,5-Dimeth-oxy-phen-yl)-2-(4-fluoro-phen-yl)-4,5-dimethyl-1H-imidazole	Acta crystallographica. Section E, Structure reports online
21578232	2009-10-03	Redetermination of ethyl (3a-cis)-3a,8b-dihydr-oxy-2-methyl-4-oxo-3a,8b-dihydro-4H-indeno[1,2-b]furan-3-carboxyl-ate monohydrate	Acta crystallographica. Section E, Structure reports online
16880654	2006-08-01	Synthesis and cytotoxic activity of benzo[a]pyrano[3,2-h] and [2,3-i]xanthone analogues of psorospermine, acronycine, and benzo[a]acronycine	Chemical & pharmaceutical bulletin

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Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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