3,8-Diamino-5-methyl-6-phenylphenanthridinium bromide dihydrobromide

CAS
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CAS
94094-40-3
Size
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Purity
96%
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Catalog Number

ACM94094403

Product Name

3,8-Diamino-5-methyl-6-phenylphenanthridinium bromide dihydrobromide

Structure

Structure

CAS

94094-40-3

Category

Heterocyclic Organic Compound

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

Molecular Weight

542.104900 [g/mol]

Molecular Formula

C20H20Br3N3

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

MSDS

COA

Spec Sheet

Download Spec Sheet

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 Å².

Is the compound canonicalized?

Yes, the compound is canonicalized.

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