3,6-Diaminocarbazole

Product Information

Molecular Formula:
C12H11N3
Molecular Weight:
197.24
Description
3,6-Diaminocarbazole is an indispensable precursor in the synthesis of various color compositions and has significantly promoted the research and development of dyes, pigments and pharmaceutical emulsions. Due to its versatility, the compound can catalyze the formation of anti-tumor drugs and organic molecules with potent chromogenic properties.
Synonyms
9H-Carbazole-3,6-diamine; 3,6-Diaminocarbazole
IUPAC Name
9H-carbazole-3,6-diamine
Canonical SMILES
C1=CC2=C(C=C1N)C3=C(N2)C=CC(=C3)N
InChI
InChI=1S/C12H11N3/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6,15H,13-14H2
InChI Key
YCZUWQOJQGCZKG-UHFFFAOYSA-N
Boiling Point
526.9±30.0 °C(Predicted)
Melting Point
276-279 °C
Purity
>98.0%(T)
Density
1.403±0.06 g/cm3(Predicted)
Appearance
White to Gray to Brown powder to crystal

Safety Information

Hazards
H314:
Causes severe skin burns and eye damage.
Precautionary Statement
P260:
Do not breathe dust, fumes, gas, mist, vapours, spray.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P301+P330+P331:
IF SWALLOWED:
Rinse mouth.
Do NOT induce vomiting.
P303+P361+P353:
IF ON SKIN (or hair):
Take off immediately all contaminated clothing. [As modified by IV ATP].
Rinse skin with water/shower.
P304+P340+P310:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Immediately call a POISON CENTER or doctor/physician.
P305+P351+P338+P310:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
Immediately call a POISON CENTER or doctor/physician.
Signal Word
Danger

Computed Properties

XLogP3
2
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
197.095297364 g/mol
Monoisotopic Mass
197.095297364 g/mol
Topological Polar Surface Area
67.8Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
219
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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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