N-Butylphthalimide

C12H13NO2CAS 1515-72-6203.24 g/mol

Open in Covalent MOL file
NOO
AmideLactam

Properties

Molecular formula
C12H13NO2
Molar mass
203.24 g/mol
Exact mass
203.0946 Da
Melting point
34 °C
Boiling point
311.8 °C
logP
2.08Crippen estimate
Polar surface area
37.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 66 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
1515-72-6
SMILES
CCCCN1C(=O)c2ccccc2C1=O
InChIKey
DLKDEVCJRCPTLN-UHFFFAOYSA-N
InChI
InChI=1S/C12H13NO2/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h4-7H,2-3,8H2,1H3

Weigh it out

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

Names and synonyms

10 names
  • 1H-Isoindole-1,3(2H)-dione, 2-butyl-
  • Phthalimide, N-butyl-
  • 2-Butyl-1H-isoindole-1,3(2H)-dione
  • N-n-Butylphthalimide
  • NSC 3559
  • Levegal EAP 4
  • 2-Butylisoindole-1,3-dione
  • 2-Butyl-2,3-dihydro-1H-isoindole-1,3-dione
  • 2-Butyl-isoindole-1,3-dione
  • 2-Butylisoindoline-1,3-dione

Work with N-Butylphthalimide

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(4-Bromobutyl)-1H-isoindole-1,3(2H)-dione5394-18-364 % similar N-(3-Bromopropyl)phthalimide5460-29-764 % similar 2-(3-Hydroxypropyl)-1H-isoindole-1,3(2H)-dione883-44-364 % similar N-(6-Bromohexyl)phthalimide24566-79-862 % similar N-(10-Bromodec-1-yl)phthalimide24566-80-162 % similar N-(5-Bromopentyl)phthalimide954-81-462 % similar 2-Ethyl-1H-isoindole-1,3(2H)-dione5022-29-761 % similar 4-Phthalimidobutyric acid3130-75-458 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(5-Methyl-2-phenyl-4-oxazolyl)ethanol103788-65-4 Indole-3-butyric acid133-32-4 Ethyl 5-methyl-1H-indole-2-carboxylate16382-15-3 1-Benzoyl-4-piperidone24686-78-0 Benzyl 3-pyrroline-1-carboxylate31970-04-4 Ethyl 1H-indole-3-acetate778-82-5 DAMC87-01-4 N-(5-Oxo-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide88611-67-0

Elsewhere

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