CAS
1256346-18-5 Purity
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1256346-18-5 Purity
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3-(N-Propylaminocarbonyl)phenylboronic acid
CAS
850567-22-5
Catalog Number
ACM850567225
Category
Boronic Acids
Molecular Weight
207.03
Molecular Formula
C10H14BNO3
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Specification
Synonyms
850567-22-5, 3-(N-Propylaminocarbonyl)phenylboronic acid, 3-(N-Propylaminocarbonyl)benzeneboronic acid, (3-(Propylcarbamoyl)phenyl)boronic acid, ACMC-209q0b, SureCN1233804, CTK5F3911, MolPort-001-768-218, 3-(propylcarbamoyl)phenylboronic acid, ANW-37977, OR3960, AKOS015839623, AB17213, AG-H-41188, AK-61971, KB-27706, 3-(N-Propylaminocarbonyl)phenylboronic acid,, X1385, B-5419, 3-(N-PROPYLCARBAMOYL)BENZENEBORONIC ACID
IUPAC Name
[3-(propylcarbamoyl)phenyl]boronic acid
SMILES
B(C1=CC(=CC=C1)C(=O)NCCC)(O)O
InChI Key
DZGOREURDIPFFZ-UHFFFAOYSA-N
Melting Point
88-96ºC
Density
1.16g/cm³
Exact Mass
207.10700
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
3
H-Bond Donor
3
Safety Description
26-36/37/39
What is the molecular formula of 3-(N-Propylaminocarbonyl)phenylboronic acid?
The molecular formula is C10H14BNO3.
What is the molecular weight of 3-(N-Propylaminocarbonyl)phenylboronic acid?
The molecular weight is 207.04 g/mol.
When was 3-(N-Propylaminocarbonyl)phenylboronic acid created?
It was created on July 21, 2009.
When was 3-(N-Propylaminocarbonyl)phenylboronic acid last modified?
It was last modified on December 2, 2023.
What is the IUPAC name of 3-(N-Propylaminocarbonyl)phenylboronic acid?
The IUPAC name is [3-(propylcarbamoyl)phenyl]boronic acid.
What is the InChI of 3-(N-Propylaminocarbonyl)phenylboronic acid?
The InChI is InChI=1S/C10H14BNO3/c1-2-6-12-10(13)8-4-3-5-9(7-8)11(14)15/h3-5,7,14-15H,2,6H2,1H3,(H,12,13).
What is the InChIKey of 3-(N-Propylaminocarbonyl)phenylboronic acid?
The InChIKey is DZGOREURDIPFFZ-UHFFFAOYSA-N.
What is the canonical SMILES of 3-(N-Propylaminocarbonyl)phenylboronic acid?
The canonical SMILES is B(C1=CC(=CC=C1)C(=O)NCCC)(O)O.
What is the CAS number of 3-(N-Propylaminocarbonyl)phenylboronic acid?
The CAS number is 850567-22-5.
What is the hydrogen bond donor count of 3-(N-Propylaminocarbonyl)phenylboronic acid?
The hydrogen bond donor count is 3.
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