CAS
68162-47-0 Purity
99.5%+
68162-47-0 Purity
99.5%+
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4-[(Dimethylamino)methyl]phenylboronic acid
CAS
70799-12-1
Catalog Number
ACM70799121
Category
Boronic Acids
Molecular Weight
179.02
Molecular Formula
C9H14BNO2
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Specification
Synonyms
4-[(DIMETHYLAMINO)METHYL]PHENYLBORONIC ACID;AKOS BRN-0614
What is the molecular formula of 4-[(Dimethylamino)methyl]phenylboronic acid?
The molecular formula is C9H14BNO2.
When was this compound created and last modified?
It was created on 2007-12-05 and last modified on 2023-12-02.
What is the IUPAC name of 4-[(Dimethylamino)methyl]phenylboronic acid?
The IUPAC name is [4-[(dimethylamino)methyl]phenyl]boronic acid.
What is the InChI key of this compound?
The InChI key is LRWRYAVXFZBFRJ-UHFFFAOYSA-N.
What is the canonical SMILES of 4-[(Dimethylamino)methyl]phenylboronic acid?
The canonical SMILES is B(C1=CC=C(C=C1)CN(C)C)(O)O.
What is the CAS registry number for this compound?
The CAS registry number is 70799-12-1.
How many hydrogen bond donor counts are there in this compound?
There are 2 hydrogen bond donor counts.
What is the topological polar surface area of 4-[(Dimethylamino)methyl]phenylboronic acid?
The topological polar surface area is 43.7Ų.
How many heavy atoms are present in this compound?
There are 13 heavy atoms.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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