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1,5-Diaminoanthraquinone

CAT: 0286-D04160-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-D04160-01Size:25 g
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CAS Number
129-44-2
Synonyms
Smoke Red F: 1,5-Diamino-9,10-dihydroanthracene-9,10-dione; 1,5-Anthraquinonyldiamine
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00001226
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

1,5-Diaminoanthraquinone

structure in first source

CAS Number129-44-2
PubChem CID8513
IUPAC Name1,5-diaminoanthracene-9,10-dione
Molecular FormulaC14H10N2O2
Molecular Weight238.24
XLogP2.6
Topological Polar Surface Area86.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity346
SMILES
C1=CC2=C(C(=C1)N)C(=O)C3=C(C2=O)C(=CC=C3)N
InChI
InChI=1S/C14H10N2O2/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6H,15-16H2
InChIKey
VWBVCOPVKXNMMZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,5-Diaminoanthraquinone
CAS: 129-44-2
CID: 8513
Formula: C14H10N2O2
MW: 238.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight238.24
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass238.074227566
Monoisotopic Mass238.074227566
Topological Polar Surface Area86.2 Ų
Heavy Atom Count18
Formal Charge0
Complexity346
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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