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Basic Red 12 (Technical Grade)

CAT: 0572-TRC-B118743-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B118743-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6320-14-5
Synonyms
Astraphloxin
Hazard Statement
Fatal if swallowed; UN number: UN2811; Packing Group: II
Smiles
[Cl-].CN1C(=CC=CC2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c4ccccc14
Molecular Formula
C25H29N2 . Cl
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride
CAS Number6320-14-5
PubChem CID6540442
IUPAC Name(2Z)-1,3,3-trimethyl-2-[(E)-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole chloride
Molecular FormulaC25H29ClN2
Molecular Weight393.0
Topological Polar Surface Area6.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count28
Formal Charge0
Complexity623
SMILES
CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C\3/C(C4=CC=CC=C4N3C)(C)C)C)C.[Cl-]
InChI
InChI=1S/C25H29N2.ClH/c1-24(2)18-12-7-9-14-20(18)26(5)22(24)16-11-17-23-25(3,4)19-13-8-10-15-21(19)27(23)6;/h7-17H,1-6H3;1H/q+1;/p-1
InChIKey
QCGOYKXFFGQDFY-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride
CAS: 6320-14-5
CID: 6540442
Formula: C25H29ClN2
MW: 393.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight393.0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass392.2019266
Monoisotopic Mass392.2019266
Topological Polar Surface Area6.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity623
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes