1,8-Diaminopyrene

Inquiry

Molecular Formula:

C16H12N2

Molecular Weight:

232.28

CAS Number:

30269-04-6

Catalog Number:

30269-04-6

Product Information

Molecular Formula:

C16H12N2

Molecular Weight:

232.28

Description

1,8-Diaminopyrene is a chemical compound primarily used in biomedical research due to its mutagenic properties. This compound can facilitate studies on genetic damage caused by polycyclic aromatic hydrocarbons (PAHs), hence, playing a crucial role in cancer research.

Synonyms

1,8-DIAMINOPYRENE; 1,8-Pyrenediamine

IUPAC Name

pyrene-1,8-diamine

Canonical SMILES

C1=CC2=C3C(=C(C=C2)N)C=CC4=C(C=CC1=C43)N

InChI

InChI=1S/C16H12N2/c17-13-7-3-9-1-2-10-4-8-14(18)12-6-5-11(13)15(9)16(10)12/h1-8H,17-18H2

InChI Key

BLYOXQBERINFDU-UHFFFAOYSA-N

Boiling Point

509.6±30.0 °C(Predicted)

Melting Point

180 °C

Purity

>97.0%(HPLC)

Density

1.394±0.06 g/cm3(Predicted)

Appearance

Yellow to Brown to Dark green powder to crystal

Safety Information

Hazards

H302+H312+H332:
Harmful if swallowed.
Harmful in contact with skin.
Harmful if inhaled.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352+P312:
IF ON SKIN:
Wash with plenty of soap and water.
Call a POISON CENTER or doctor/physician if you feel unwell.
P304+P340+P312:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Call a POISON CENTER or doctor/physician if you feel unwell.
P337+P313:
If eye irritation persists:
Get medical advice/attention.

Computed Properties

XLogP3

3.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

232.100048391 g/mol

Monoisotopic Mass

232.100048391 g/mol

Topological Polar Surface Area

52Å²

Heavy Atom Count

Formal Charge

Complexity

297

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

Publication Number	Title	Priority Date
CN-113398990-A	Polyimide/cotton fiber hydrogen peroxide synthesis photocatalyst and preparation and application thereof	2021-06-11
JP-2020038391-A	Varnish for photo-alignment film and liquid crystal display	2019-11-29
JP-6888071-B2	Varnish for photoalignment film and liquid crystal display device	2019-11-29
JP-2021068879-A	Board processing method and board processing system	2019-10-28
US-2021125837-A1	Substrate processing method and substrate processing system	2019-10-28
JP-2020164403-A	Graphene dispersion and electrodes for secondary batteries	2019-03-27
CN-111690321-A	Varnish for photo-alignment film and liquid crystal display device	2019-03-15
JP-2020149001-A	Varnish for photoalignment film and liquid crystal display device	2019-03-15
CN-111690321-B	Varnish for photo-alignment film and liquid crystal display device	2019-03-15
JP-2020094006-A	Sustained-release fungicide and method for producing the same	2018-12-13

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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