1,6-DIAMINOPYRENE
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
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
509.6°C at 760mmHg
Melting Point
230°C
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.
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.
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
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
232.100048391 g/mol
Monoisotopic Mass
232.100048391 g/mol
Topological Polar Surface Area
52Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
297
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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 |
