Buntane-2-boronic acid

C₄H₁₁BO₂CAS 88496-88-2101.94 g/mol

Open in Covalent MOL file

Boronic acid

Properties

Molecular formula: C₄H₁₁BO₂
Molar mass: 101.94 g/mol
Exact mass: 102.0852 Da
logP: 0.26Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

88496-88-2

SMILES

B(C(C)CC)(O)O

InChIKey

MACOIFNUPFKZEI-UHFFFAOYSA-N

InChI

InChI=1S/C4H11BO2/c1-3-4(2)5(6)7/h4,6-7H,3H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2-Butylboronic acid

Work with Buntane-2-boronic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Isopropylboronic acid80041-89-038 % similar (-)-2-Butanol14898-79-435 % similar (+-)-2-Butanol15892-23-635 % similar (+)-2-Butanol4221-99-235 % similar 2-Butanol78-92-235 % similar 3,4-Dimethylhexane583-48-233 % similar Isopentane78-78-433 % similar 3-Methylpentane96-14-033 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Butylboronic acid4426-47-5 2-Methylpropylboronic acid84110-40-7

Elsewhere

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