Nirvanol

C11H12N2O2CAS 631-07-2204.23 g/mol

Open in Covalent MOL file
NHOHNO

Properties

Molecular formula
C11H12N2O2
Molar mass
204.23 g/mol
Exact mass
204.0899 Da
Melting point
197 °C
logP
2.18Crippen estimate
Polar surface area
65.2 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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
631-07-2
SMILES
CCC1(c2ccccc2)N=C(O)N=C1O
InChIKey
UDTWZFJEMMUFLC-UHFFFAOYSA-N
InChI
InChI=1S/C11H12N2O2/c1-2-11(8-6-4-3-5-7-8)9(14)12-10(15)13-11/h3-7H,2H2,1H3,(H2,12,13,14,15)

Weigh it out

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Names and synonyms

11 names
  • 2,4-Imidazolidinedione, 5-ethyl-5-phenyl-
  • Hydantoin, 5-ethyl-5-phenyl-
  • 5-Ethyl-5-phenyl-2,4-imidazolidinedione
  • 5-Ethyl-5-phenylhydantoin
  • 5-Phenyl-5-ethylhydantoin
  • Ethylphenylhydantoin
  • Desmethylmephenytoin
  • Normephenytoin
  • (RS)-5-Ethyl-5-phenyl-2,4-imidazolidinedione
  • NSC 150466
  • NSC 33388

Work with Nirvanol

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

Phenytoin57-41-057 % similar Phenobarbital50-06-649 % similar Primidone125-33-749 % similar 5-Ethyl-5-methylhydantoin16820-12-547 % similar (±)-Mephenytoin50-12-447 % similar 8-(Phenylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione28936-94-942 % similar 2-Ethyl-2-phenylbutyric acid5465-28-141 % similar Phenylethylmalonamide7206-76-040 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Imidazo[1,2-A]pyridine-3-aceticacid,ethylester101820-69-3 D-Tryptophan153-94-6 2,3,3-Trimethyl-5-nitroindolenine3484-22-8 (±)-Tryptophan54-12-6 2PHZ61698-32-6 Tryptophan73-22-3 Ethotoin86-35-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook