1,8-Diaminopyrene
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
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.
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.
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
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-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 |
