CAS
7087-65-2 Purity
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7087-65-2 Purity
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5-BROMO-2-(4-METHYLPIPERAZIN-1-YL)PYRIMIDINE
CAS
141302-36-5
Catalog Number
ACM141302365
Category
Other Products; Bromine Series
Molecular Weight
257.13
Molecular Formula
C9H13BrN4
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May 23, 2023
A useful heterocyclic intermediate.
5-BROMO-2-(4-METHYLPIPERAZIN-1-YL)PYRIMIDINE is an ideal heterocyclic organic compound through carbon-carbon coupling.
What is the molecular formula of the compound?
The molecular formula is C9H13BrN4.
What is the molecular weight of the compound?
The molecular weight is 257.13 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 5-bromo-2-(4-methylpiperazin-1-yl)pyrimidine.
What is the InChI of the compound?
The InChI is InChI=1S/C9H13BrN4/c1-13-2-4-14(5-3-13)9-11-6-8(10)7-12-9/h6-7H,2-5H2,1H3.
What is the InChIKey of the compound?
The InChIKey is PRYPBGVWKANVLV-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is CN1CCN(CC1)C2=NC=C(C=N2)Br.
What is the CAS number of the compound?
The CAS number is 141302-36-5.
What is the DSSTox Substance ID of the compound?
The DSSTox Substance ID is DTXSID70399630.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 1.2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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