Propan-2-yl 4-aminobenzoate

C₁₀H₁₃NO₂CAS 18144-43-9179.22 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₁₀H₁₃NO₂
Molar mass: 179.22 g/mol
Exact mass: 179.0946 Da
logP: 1.83Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

18144-43-9

SMILES

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

InChIKey

JWCPZKNBPMSYND-UHFFFAOYSA-N

InChI

InChI=1S/C10H13NO2/c1-7(2)13-10(12)8-3-5-9(11)6-4-8/h3-7H,11H2,1-2H3

Weigh it out

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

Names and synonyms

1 names

Isopropyl 4-aminobenzoate

Work with Propan-2-yl 4-aminobenzoate

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

Isopropyl benzoate939-48-065 % similar Isopropylparaben4191-73-564 % similar Methyl 4-aminobenzoate619-45-459 % similar Isobutyl P-aminobenzoate94-14-458 % similar 1-Methylethyl 3-amino-4-methylbenzoate21447-47-258 % similar 1,4-Benzenedicarboxylic acid bis(4-aminophenyl) ester16926-73-155 % similar 4-Aminophenyl 4-aminobenzoate20610-77-955 % similar [4-(4-Aminobenzoyl)oxyphenyl] 4-aminobenzoate22095-98-355 % similar

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

Same formula

Methyl N,N-dimethylanthranilate10072-05-6 Dl-homophenylalanine1012-05-1 Phenibut1078-21-3 Dl-α-methylphenylalanine1132-26-9 3-Methylphenylalanine114926-37-3 3-Methyl-D-phenylalanine114926-39-5 4-((2-Hydroxyethyl)(methyl)amino)benzaldehyde1201-91-8 Propham122-42-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook