3-Amino-7-dimethylamino-2-methylphenazine hydrochloride

CAS Number: 553-24-2
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Cc(cc1nc(ccc(N(C)C)c2)c2nc1c1)c1N.Cl
Molecule Information
Mutagenic: low Tumorigenic: none Irritant: none
Formula
HCl.C15H16N4
Molecular Weight
252.32
Drug-likeness
0.15917
CAS
553-24-2
InChI key
PGSADBUBUOPOJS-UHFFFAOYSA-N
SMILES
Cc(cc1nc(ccc(N(C)C)c2)c2nc1c1)c1N.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
low
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 553-24-2
Molecule Name 3-Amino-7-dimethylamino-2-methylphenazine hydrochloride
Molecular Formula HCl.C15H16N4
SMILES Cc(cc1nc(ccc(N(C)C)c2)c2nc1c1)c1N.Cl
InChI InChI=1S/C15H16N4.ClH/c1-9-6-13-15(8-11(9)16)18-14-7-10(19(2)3)4-5-12(14)17-13;/h4-8H,16H2,1-3H3;1H
InChI Key PGSADBUBUOPOJS-UHFFFAOYSA-N
CanonicalSyTyLFy 24c2128521295af4
TotalMolweight 288.781
Molecular Weight 252.32
MonoisotopicMass 252.137496
CLogP 2.0996
CLogS -3.274
H Acceptors 4
H Donors 1
TotalSurfaceArea 195.58
Relative PSA 0.20841
PolarSurfaceArea 55.04
Drug-likeness 0.15917
Mutagenic low
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.57895
Molecula Flexibility 0.17935
Molecular Complexity 0.77052
Fragments 2
Non HAtoms 19
NonCHAtoms 4
Electronegative Atoms 4
Rotatable Bond 1
Rings Closures 3
Small Rings 3
Aromatic Rings 3
Aromatic Atoms 14
Sp3Atoms 3
Symmetricatoms 1
Amines 2
Aromatic Amines 2
Aromatic Nitrogens 2

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