2-Butyl-[1,3,2]dioxaborolane-4,5-dicarboxylic acid bis-dimethylamide

C12H23BN2O4CAS 161344-85-0270.14 g/mol

Open in Covalent MOL file
BOOONON
AmideBoronic ester

Properties

Molecular formula
C12H23BN2O4
Molar mass
270.14 g/mol
Exact mass
270.1751 Da
logP
0.24Crippen estimate
Polar surface area
59.1 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
161344-85-0
SMILES
B1(OC(C(O1)C(=O)N(C)C)C(=O)N(C)C)CCCC
InChIKey
AFQWQRBBIZKYTE-UHFFFAOYSA-N
InChI
InChI=1S/C12H23BN2O4/c1-6-7-8-13-18-9(11(16)14(2)3)10(19-13)12(17)15(4)5/h9-10H,6-8H2,1-5H3

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Work with 2-Butyl-[1,3,2]dioxaborolane-4,5-dicarboxylic acid bis-dimethylamide

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

N,N-Dimethylhexanamide5830-30-837 % similar N,N-Dimethyldecanamide14433-76-236 % similar H-Pro-nme229802-22-034 % similar N,N-Dimethylbutanamide760-79-232 % similar Tributylborane122-56-530 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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