1-(5-Bromopyridin-3-yl)-4-methylpiperazine

CAS
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CAS
1130759-48-6
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM1130759486

Product Name

1-(5-Bromopyridin-3-yl)-4-methylpiperazine

Structure

Structure

CAS

1130759-48-6

Category

Bromine Series

Synonyms

1-(5-bromopyridin-3-yl)-4-methylpiperazine;1-(5-Bromo-3-pyridinyl)-4-methylpiperazine

IUPAC Name

1-(5-bromopyridin-3-yl)-4-methylpiperazine

Molecular Weight

256.14226

Molecular Formula

C₁₀H₁₄BrN₃

Canonical SMILES

CN1CCN(CC1)C2=CC(=CN=C2)Br

InChI Key

OJCUHUIYERGNRZ-UHFFFAOYSA-N

Exact Mass

255.03700

H-Bond Acceptor

3

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of the compound described in the reference?

The molecular formula is C10H14BrN3.

What is the molecular weight of the compound?

The molecular weight is 256.14 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 1-(5-bromopyridin-3-yl)-4-methylpiperazine.

What is the InChI of the compound?

The InChI is InChI=1S/C10H14BrN3/c1-13-2-4-14(5-3-13)10-6-9(11)7-12-8-10/h6-8H,2-5H2,1H3.

What is the InChIKey of the compound?

The InChIKey is OJCUHUIYERGNRZ-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CN1CCN(CC1)C2=CC(=CN=C2)Br.

What is the CAS number of the compound?

The CAS number is 1130759-48-6.

What is the DSSTox Substance ID of the compound?

The DSSTox Substance ID is DTXSID50704506.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 1.5.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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