Phenylcarbamic acid propyl ester

C₁₀H₁₃NO₂CAS 5532-90-1179.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₃NO₂
Molar mass: 179.22 g/mol
Exact mass: 179.0946 Da
logP: 2.65Crippen estimate
Polar surface area: 38.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

5532-90-1

SMILES

CCCOC(=O)NC1=CC=CC=C1

InChIKey

QDZXCXBFZLLQFT-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

Propyl phenylcarbamate

Work with Phenylcarbamic acid propyl ester

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

Propyl benzoate2315-68-653 % similar t-Butyl carbanilate3422-01-351 % similar Dipropyl phthalate131-16-850 % similar Ethyl oxanilate1457-85-848 % similar Propyl cinnamate7778-83-846 % similar (S)-(+)-4-Phenyl-2-oxazolidinone86217-38-145 % similar Ethyl 3-(phenylamino)-2-butenoate6287-35-043 % similar Propyl salicylate607-90-943 % 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

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