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Neutral Violet C.I. 50030

CAT: 0286-N04460Size: 1 gDry Ice: NoHazardous: No
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CAT#:0286-N04460Size:1 g
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CAS Number
3562-46-7
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00050592
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
Precautions
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

2,3,7-Phenazinetriamine, N2-(4-(dimethylamino)phenyl)-N7,N7-dimethyl-, hydrochloride (1:1)
CAS Number3562-46-7
PubChem CID198943
IUPAC Name2-N-[4-(dimethylamino)phenyl]-7-N,7-N-dimethylphenazine-2,3,7-triamine;hydrochloride
Molecular FormulaC22H25ClN6
Molecular Weight408.9
Topological Polar Surface Area70.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity503
SMILES
CN(C)C1=CC=C(C=C1)NC2=CC3=NC4=C(C=C(C=C4)N(C)C)N=C3C=C2N.Cl
InChI
InChI=1S/C22H24N6.ClH/c1-27(2)15-7-5-14(6-8-15)24-19-13-22-21(12-17(19)23)26-20-11-16(28(3)4)9-10-18(20)25-22;/h5-13,24H,23H2,1-4H3;1H
InChIKey
USDDHXNRSWIAES-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3,7-Phenazinetriamine, N2-(4-(dimethylamino)phenyl)-N7,N7-dimethyl-, hydrochloride (1:1)
CAS: 3562-46-7
CID: 198943
Formula: C22H25ClN6
MW: 408.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass408.1829225
Monoisotopic Mass408.1829225
Topological Polar Surface Area70.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity503
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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