4-Aminophenylboronic acid

CAT: 0024-sc-289919Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-289919Size:1 g

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CAS Number

89415-43-0

Chemical Information

4-Aminophenylboronic acid

used in sensors for detection of sialic acid residues; structure in first source

CAS Number	89415-43-0
PubChem CID	2734615
IUPAC Name	(4-aminophenyl)boronic acid
Molecular Formula	C6H8BNO2
Molecular Weight	136.95
Topological Polar Surface Area	66.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	102

SMILES

B(C1=CC=C(C=C1)N)(O)O

InChI

InChI=1S/C6H8BNO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H,8H2

InChIKey

MKPDAJWEBQRQCO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 89415-43-0

CID: 2734615

Formula: C6H8BNO2

MW: 136.95

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	136.95
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	137.0648087
Monoisotopic Mass	137.0648087
Topological Polar Surface Area	66.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	102
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-288955	3-Aminophenylboronic acid
sc-265422	2-aminophenylboronic acid
sc-288955A	3-Aminophenylboronic acid
sc-290111A	4-Cbz-aminophenylboronic acid, pinacol ester
sc-290111	4-Cbz-aminophenylboronic acid, pinacol ester
sc-287826	2-Aminophenylboronic acid, HCl
sc-287826A	2-Aminophenylboronic acid, HCl
sc-231474	3-Aminophenylboronic acid hydrochloride
sc-225944	3-Aminophenylboronic acid monohydrate
sc-225163	2-Aminophenylboronic acid pinacol ester

Catalog	Name
430374-01	4-Aminophenylboronic Acid
FA33740-01	4-Aminophenylboronic acid hydrochloride
430492-01	4-Boc-aminophenylboronic Acid
TRC-B688535-1G	2-Bromomethyl-4-aminophenylboronic Acid
GTR19245709-01	4-Aminophenylboronic acid pinacol ester
FA10483-01	2-Aminophenylboronic acid
68676301-1g	3-Aminophenylboronic acid
abx185864-01	M-Aminophenylboronic Acid
430376-01	4-Aminophenylboronic acid, pinacol ester, HCl