CAS
912569-54-1 Purity
96%
912569-54-1 Purity
96%
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3-(3-Bromophenoxy)-N,N-dimethylpropylamine
CAS
912569-57-4
Catalog Number
ACM912569574
Category
Other Products
Molecular Weight
258.16
Molecular Formula
C11H16BrNO
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Specification
Synonyms
3-(3-Bromophenoxy)-N,N-dimethylpropylamine
IUPAC Name
3-(3-bromophenoxy)-N,N-dimethylpropan-1-amine
Canonical SMILES
CN(C)CCCOC1=CC(=CC=C1)Br
InChI Key
FMYWALTVPROHIA-UHFFFAOYSA-N
Exact Mass
257.04200
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 2183561?
The molecular formula is C11H16BrNO.
What is the IUPAC name of the compound?
The IUPAC name is 3-(3-bromophenoxy)-N,N-dimethylpropan-1-amine.
What is the molecular weight of the compound?
The molecular weight is 258.15 g/mol.
What is the Canonical SMILES representation of the compound?
CN(C)CCCOC1=CC(=CC=C1)Br
How many hydrogen bond donor counts are present in the compound?
There are 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts are present in the compound?
There are 2 hydrogen bond acceptor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 3.
What is the exact mass of the compound?
The exact mass is 257.04153 g/mol.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the topological polar surface area of the compound?
The topological polar surface area is 12.5 Å2.
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