1,3-Diaminopyrene

Inquiry

Molecular Formula:

C16H12N2

Molecular Weight:

232.28

CAS Number:

92821-64-2

Catalog Number:

92821-64-2

Product Information

Molecular Formula:

C16H12N2

Molecular Weight:

232.28

Description

The fluorescent potency of 1,3-Diaminopyrene could advance cell imaging techniques that have never before advanced cancer research.

Synonyms

1,3-DIAMINOPYRENE; Diaminopyrene; 1,3-Pyrenediamine

IUPAC Name

pyrene-1,3-diamine

Canonical SMILES

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

InChI

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

InChI Key

WOFKFNZIJZWWPZ-UHFFFAOYSA-N

Melting Point

184ºC

Purity

95%

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

301

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
JP-2022017207-A	Polycyclic aromatic compounds	2020-07-13
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
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
WO-2020080477-A1	Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal display element using same	2018-10-18
TW-202031858-A	Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display element using the same	2018-10-18
CN-112912792-A	Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal display element using same	2018-10-18

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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