3,3-Diaminobenzophenone

Name: 3,3-Diaminobenzophenone
Brand: BOC Sciences
Rating: 5 (1 reviews)

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Molecular Formula:

C13H12N2O

Molecular Weight:

212.25

CAS Number:

611-79-0

Catalog Number:

611-79-0

Product Information

Molecular Formula:

C13H12N2O

Molecular Weight:

212.25

Description

3,3-Diaminobenzophenone has emerged as a key intermediate in the creation and incorporation of multiple pharmaceutical formulations that can be used to combat different diseases, including cancer, dermatology, and degenerative diseases.

Synonyms

Bis(3-aminophenyl)methanone; Methanone, bis(3-aminophenyl)-; 3,3//'-Diaminobenzophenone; 3-(3-aminobenzoyl)aniline; 3,3-Diaminobenzophenone; 3,3'-diamino benzophenone; 3,3\'-Diaminobenzophenone; Bis(3-aminophenyl)methanone #; 3,5-bis(methoxycarbonyl)benzenesulfonate; tetrabutylphosphonium

IUPAC Name

bis(3-aminophenyl)methanone

Canonical SMILES

C1=CC(=CC(=C1)N)C(=O)C2=CC(=CC=C2)N

InChI

InChI=1S/C13H12N2O/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10/h1-8H,14-15H2

InChI Key

TUQQUUXMCKXGDI-UHFFFAOYSA-N

Boiling Point

285°C 11mm

Melting Point

150-151°C

Flash Point

285°C/11mm

Purity

>95.0%(GC)(T)

Density

1.1128 (rough estimate)

Appearance

Light yellow to Yellow to Orange powder to crystal

Refractive Index

1.6920 (estimate)

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H341:
Suspected of causing genetic defects.

Precautionary Statement

P201:
Obtain special instructions before use.
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P308+P313:
If exposed or concerned:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3

1.9

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

212.094963011 g/mol

Monoisotopic Mass

212.094963011 g/mol

Topological Polar Surface Area

69.1Å²

Heavy Atom Count

Formal Charge

Complexity

230

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

The molarity calculator equation

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

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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3,3-Diaminobenzophenone

Product Information

Safety Information

Computed Properties

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