(aR)-3,5-Dibromo-a-methyl-benzenemethanamine

CAS
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CAS
911426-06-7
Size
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Purity
96%
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Catalog Number

ACM911426067

Product Name

(aR)-3,5-Dibromo-a-methyl-benzenemethanamine

Structure

Structure

CAS

911426-06-7

Category

Heterocyclic Organic Compound

Synonyms

Benzenemethanamine, 3,5-dibromo-α-methyl-, (αR)-;Benzenemethanamine, 3,5-dibromo-a-methyl-, (aR)-

IUPAC Name

(1R)-1-(3,5-dibromophenyl)ethanamine

Molecular Weight

278.974

Molecular Formula

C8H9Br2N

Canonical SMILES

CC(C1=CC(=CC(=C1)Br)Br)N

InChI Key

DWZJEVRHNGHMTL-RXMQYKEDSA-N

Exact Mass

276.91000

H-Bond Acceptor

1

H-Bond Donor

1

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of (aR)-3,5-Dibromo-a-methyl-benzenemethanamine?

The molecular formula is C8H9Br2N.

What is the molecular weight of (aR)-3,5-Dibromo-a-methyl-benzenemethanamine?

The molecular weight is 278.97 g/mol.

What is the IUPAC name of (aR)-3,5-Dibromo-a-methyl-benzenemethanamine?

The IUPAC name is (1R)-1-(3,5-dibromophenyl)ethanamine.

What is the InChI of (aR)-3,5-Dibromo-a-methyl-benzenemethanamine?

The InChI is InChI=1S/C8H9Br2N/c1-5(11)6-2-7(9)4-8(10)3-6/h2-5H,11H2,1H3/t5-/m1/s1.

What is the InChIKey of (aR)-3,5-Dibromo-a-methyl-benzenemethanamine?

The InChIKey is DWZJEVRHNGHMTL-RXMQYKEDSA-N.

What is the canonical SMILES of (aR)-3,5-Dibromo-a-methyl-benzenemethanamine?

The canonical SMILES is CC(C1=CC(=CC(=C1)Br)Br)N.

What is the isomeric SMILES of (aR)-3,5-Dibromo-a-methyl-benzenemethanamine?

The isomeric SMILES is C[C@H](C1=CC(=CC(=C1)Br)Br)N.

What is the XLogP3-AA value of (aR)-3,5-Dibromo-a-methyl-benzenemethanamine?

The XLogP3-AA value is 2.6.

How many hydrogen bond donor count does (aR)-3,5-Dibromo-a-methyl-benzenemethanamine have?

It has 1 hydrogen bond donor count.

How many rotatable bond count does (aR)-3,5-Dibromo-a-methyl-benzenemethanamine have?

It has 1 rotatable bond count.

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