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Diazido-propidium

HCID 192078
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Basic information

CAS
76391-85-0
Standard SMILES
CC[N+](C)(CC)CCC[n+]1c(-c2ccccc2)c2cc(N=[N+]=[N-])ccc2c2ccc(N=[N+]=[N-])cc21.F[B-](F)(F)F.F[B-](F)(F)F
InChIKey
LTAXZIUSUXMEGS-UHFFFAOYSA-N
Molecular formula
C27H30B2F8N8
Average molar mass
640.2 g/mol
Monoisotopic mass
640.2651786

Overview

structure; RN given refers to bis(tetrafluoroborate) salt

Names & identifiers

Preferred name
Diazido-propidium
IUPAC
3-(3,8-diazido-6-phenylphenanthridin-5-ium-5-yl)propyl-diethyl-methylazanium ditetrafluoroborate

Names & synonyms

Diazido-propidium76391-85-0DTXSID90227224Phenanthridinium, 3,8-diazido-5-(3-(diethylmethylammonio)propyl)-6-phenyl-, bis(tetrafluoroborate(1-))RefChem:132751DTXCID901497153,8-Diazido-5-{3-[diethyl(methyl)azaniumyl]propyl}-6-phenylphenanthridin-5-ium bis[tetrafluoridoborate(1-)]

Database identifiers

CAS
76391-85-0
PubChem CID
192078
DTXSID
DTXSID90227224

Properties

Computed structural properties

Topological polar surface area
32.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
14
Rotatable bonds
9
Heavy atoms
45
Formal charge
0
Complexity
797

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