chempirical

Dihydroethidium

C21H21N3CAS 104821-25-2315.42 g/mol

Open in Covalent MOL file
NH2NNH2
Primary amineTertiary amine

Properties

Molecular formula
C21H21N3
Molar mass
315.42 g/mol
Exact mass
315.1735 Da
logP
4.45Crippen estimate
Polar surface area
55.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
104821-25-2
SMILES
CCN1c2cc(N)ccc2-c2ccc(N)cc2C1c1ccccc1
InChIKey
XYJODUBPWNZLML-UHFFFAOYSA-N
InChI
InChI=1S/C21H21N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,21H,2,22-23H2,1H3

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Names and synonyms

6 names
  • 3,8-Phenanthridinediamine, 5-ethyl-5,6-dihydro-6-phenyl-
  • 3,8-Phenanthridinediamine, 5-ethyl-5,6-dihydro-6-phenyl-, (±)-
  • 5-Ethyl-5,6-dihydro-6-phenyl-3,8-phenanthridinediamine
  • Hydroethidine
  • PD-MY 003
  • 5,6-Dihydro-5-ethyl-6-phenylphenanthridine-3,8-diamine

Work with Dihydroethidium

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Amino-N-ethyl-2-methyl-N-phenylbenzenesulfonamide51123-09-235 % similar 3,4-Diphenylaniline10569-67-234 % similar 1-(Diphenylmethyl)-3-azetidinamine40432-52-833 % similar Cyclizine82-92-832 % similar 1-(Diphenylmethyl)-3-azetidinemethanamine36476-88-731 % similar Color developing agent 193-05-031 % similar 3-(1-Methylethyl)benzenamine5369-16-430 % similar 9,9-Dimethyl-9H-fluoren-2-amine108714-73-430 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Dihydroethidium38483-26-0 Hexahydro-1,3,5-triphenyl-1,3,5-triazine91-78-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook