CAS
91142-24-4 Purity
96%
91142-24-4 Purity
96%
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(aS)-3,5-Dibromo-a-methyl-benzenemethanamine
CAS
911426-09-0
Catalog Number
ACM911426090
Category
Other Products
Molecular Weight
278.974
Molecular Formula
C8H9Br2N
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Specification
Synonyms
Benzenemethanamine, 3,5-dibromo-α-methyl-, (αS)-;Benzenemethanamine, 3,5-dibromo-a-methyl-, (aS)-
IUPAC Name
(1S)-1-(3,5-dibromophenyl)ethanamine
SMILES
CC(C1=CC(=CC(=C1)Br)Br)N
InChI Key
DWZJEVRHNGHMTL-YFKPBYRVSA-N
Exact Mass
276.91000
H-Bond Acceptor
1
H-Bond Donor
1
What is the molecular formula of (aS)-3,5-Dibromo-a-methyl-benzenemethanamine?
The molecular formula is C8H9Br2N.
What is the molecular weight of (aS)-3,5-Dibromo-a-methyl-benzenemethanamine?
The molecular weight is 278.97 g/mol.
What is the IUPAC name of (aS)-3,5-Dibromo-a-methyl-benzenemethanamine?
The IUPAC name is (1S)-1-(3,5-dibromophenyl)ethanamine.
What is the InChI of (aS)-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-/m0/s1.
What is the InChIKey of (aS)-3,5-Dibromo-a-methyl-benzenemethanamine?
The InChIKey is DWZJEVRHNGHMTL-YFKPBYRVSA-N.
What is the canonical SMILES of (aS)-3,5-Dibromo-a-methyl-benzenemethanamine?
The canonical SMILES is CC(C1=CC(=CC(=C1)Br)Br)N.
What is the isomeric SMILES of (aS)-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 (aS)-3,5-Dibromo-a-methyl-benzenemethanamine?
The XLogP3-AA value is 2.6.
How many hydrogen bond donor counts does (aS)-3,5-Dibromo-a-methyl-benzenemethanamine have?
It has 1 hydrogen bond donor count.
What is the exact mass of (aS)-3,5-Dibromo-a-methyl-benzenemethanamine?
The exact mass is 278.90813 g/mol.
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