1,6-DIAMINOPYRENE

Inquiry

Molecular Formula:

C16H12N2

Molecular Weight:

232.28

CAS Number:

14923-84-3

Catalog Number:

14923-84-3

Product Information

Molecular Formula:

C16H12N2

Molecular Weight:

232.28

Description

1,6-DIAMINOPYRENE is a synthetic compound used in biomedical research, specifically in DNA adduct studies associated with carcinogenic effects. It plays a significant role in the study of drugs aiming to treat cancers caused by polycyclic aromatic hydrocarbons.

Synonyms

1,6-pyrenediamine; 1,6-DIAMINOPYRENE; Dyaminopyrene; 4-13-00-00479 (Beilstein Handbook Reference)

IUPAC Name

pyrene-1,6-diamine

Canonical SMILES

C1=CC2=C(C=CC3=C2C4=C1C=CC(=C4C=C3)N)N

InChI

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

InChI Key

OWJJRQSAIMYXQJ-UHFFFAOYSA-N

Boiling Point

509.6ºC at 760mmHg

Melting Point

230ºC

Purity

>98.0%(LC)(N)

Density

1.394g/cm3

Appearance

Green to Dark green powder to crystal

Safety Information

Hazards

H302:
Harmful if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P270:
Do not eat, drink or smoke when using this product.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312+P330:
IF SWALLOWED:
Call a POISON CENTER or doctor/physician if you feel unwell.
Rinse mouth.
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

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-113248462-A	Organic electroluminescent device	2021-05-12
CN-113066938-A	Light emitting device, display substrate and display apparatus	2021-03-23
CN-112961147-A	Nitrogen-containing compound and organic electroluminescent device thereof	2021-02-09
CN-112961147-B	Nitrogen-containing compound and organic electroluminescent device thereof	2021-02-09
WO-2022054588-A1	Luminescent-particle-containing ink composition, light conversion layer, and light-emitting device	2020-09-10
WO-2022054590-A1	Luminescent-particle-containing ink composition, light conversion layer, and light-emitting device	2020-09-10
CN-111952480-A	Photochromic conversion film and luminescent device thereof	2020-08-21
CN-111952480-B	Photochromic conversion film and luminescent device thereof	2020-08-21
JP-2022032441-A	Polycyclic aromatic compounds	2020-08-12
JP-2022032442-A	Polycyclic aromatic compounds	2020-08-12

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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