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3,8-Diamino-5-methyl-6-phenylphenanthridinium bromide dihydrobromide
CAS
94094-40-3
Catalog Number
ACM94094403
Category
Other Products
Molecular Weight
542.104900 [g/mol]
Molecular Formula
C20H20Br3N3
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Specification
Synonyms
3,8-Diamino-5-methyl-6-phenylphenanthridinium bromide dihydrobromide, 94094-40-3, CTK5H4944, EINECS 302-141-6, AG-H-86815
IUPAC Name
5-methyl-6-phenylphenanthridin-5-ium-3,8-diamine;bromide;dihydrobromide
Canonical SMILES
C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.Br.Br.[Br-]
InChI Key
HBSQLQYPOGZIKY-UHFFFAOYSA-N
EC Number
302-141-6
Exact Mass
538.92100
H-Bond Acceptor
3
H-Bond Donor
2
What is the molecular formula of 3,8-Diamino-5-methyl-6-phenylphenanthridinium bromide dihydrobromide?
The molecular formula is C20H20Br3N3.
What is the molecular weight of 3,8-Diamino-5-methyl-6-phenylphenanthridinium bromide dihydrobromide?
The molecular weight is 542.1 g/mol.
When was this compound created and when was it last modified?
It was created on 2009-08-20 and last modified on 2023-12-30.
What is the IUPAC name of 3,8-Diamino-5-methyl-6-phenylphenanthridinium bromide dihydrobromide?
The IUPAC name is 5-methyl-6-phenylphenanthridin-5-ium-3,8-diamine;bromide;dihydrobromide.
What is the Canonical SMILES representation of this compound?
The Canonical SMILES representation is C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.Br.Br.[Br-].
What is the InChIKey of 3,8-Diamino-5-methyl-6-phenylphenanthridinium bromide dihydrobromide?
The InChIKey is HBSQLQYPOGZIKY-UHFFFAOYSA-N.
How many hydrogen bond donor counts does this compound have?
It has 4 hydrogen bond donor counts.
What is the exact mass of the compound?
The exact mass is 540.91869 g/mol.
How many topological polar surface areas does this compound have?
The topological polar surface area is 55.9 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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