4-Methylhomopiperazine-4-aminobenzene trihydrochloride monohydrate

CAS
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Purity
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CAS
913830-33-8
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM913830338

Product Name

4-Methylhomopiperazine-4-aminobenzene trihydrochloride monohydrate

Structure

Structure

CAS

913830-33-8

Category

Heterocyclic Organic Compound

Synonyms

4-METHYLHOMOPIPERAZINE-4-AMINOBENZENE TRIHYDROCHLORIDE MONOHYDRATE;4-(4-Methylhomopiperazin-1-yl)aniline trihydrochloride monohydrate

IUPAC Name

4-(4-methyl-1,4-diazepan-1-yl)aniline;hydrate;trihydrochloride

Molecular Weight

332.6975

Molecular Formula

C₁₂H₂₄Cl₃N₃O

Canonical SMILES

CN1CCCN(CC1)C2=CC=C(C=C2)N.O.Cl.Cl.Cl

InChI Key

RSGOMRQTIZQMIR-UHFFFAOYSA-N

Boiling Point

510.7ºC at 760 mmHg

Melting Point

238-250ºC

Flash Point

262.7ºC

Exact Mass

331.09800

H-Bond Acceptor

4

H-Bond Donor

5

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 4-Methylhomopiperazine-4-aminobenzene trihydrochloride monohydrate?

The molecular formula is C12H24Cl3N3O.

When was 4-Methylhomopiperazine-4-aminobenzene trihydrochloride monohydrate created and last modified?

It was created on 2009-07-21 and last modified on 2023-12-30.

What is the molecular weight of 4-Methylhomopiperazine-4-aminobenzene trihydrochloride monohydrate?

The molecular weight is 332.7 g/mol.

What are some synonyms for 4-Methylhomopiperazine-4-aminobenzene trihydrochloride monohydrate?

Some synonyms include DTXSID70657303 and 4-(4-methyl-1,4-diazepan-1-yl)aniline trihydrochloride hydrate.

What is the InChIKey of 4-Methylhomopiperazine-4-aminobenzene trihydrochloride monohydrate?

The InChIKey is RSGOMRQTIZQMIR-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 4-Methylhomopiperazine-4-aminobenzene trihydrochloride monohydrate have?

It has 5 hydrogen bond donor counts.

What is the topological polar surface area of 4-Methylhomopiperazine-4-aminobenzene trihydrochloride monohydrate?

The topological polar surface area is 33.5 Å2.

How many rotatable bond counts does 4-Methylhomopiperazine-4-aminobenzene trihydrochloride monohydrate have?

It has 1 rotatable bond count.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the complexity of 4-Methylhomopiperazine-4-aminobenzene trihydrochloride monohydrate?

The complexity is 187.

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