1-Phenyl-1,3,8-triazaspiro(4.5)decan-4-one

C₁₃H₁₇N₃OCAS 1021-25-6231.30 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₃H₁₇N₃O
Molar mass: 231.30 g/mol
Exact mass: 231.1372 Da
Melting point: 168–176 °C
logP: 1.54Crippen estimate
Polar surface area: 47.9 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 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

1021-25-6

SMILES

OC1=NCN(c2ccccc2)C12CCNCC2

InChIKey

HTQWGIHCFPWKAS-UHFFFAOYSA-N

InChI

InChI=1S/C13H17N3O/c17-12-13(6-8-14-9-7-13)16(10-15-12)11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H,15,17)

Weigh it out

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

Names and synonyms

5 names

1-Phenyl-1,3,8-triazaspiro[4.5]decan-4-one
1,3,8-Triazaspiro[4.5]decan-4-one, 1-phenyl-
4-Oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane
1-Phenyl-4-oxo-1,3,8-triazaspiro[4.5]decane
NSC 96918

Work with 1-Phenyl-1,3,8-triazaspiro(4.5)decan-4-one

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

4-Phenyl-4-piperidinecarboxylic acid3627-45-038 % similar 1-Phenyl-4,4-dimethyl-3-pyrazolidone2654-58-236 % similar 4-Hydroxy-4-phenylpiperidine40807-61-236 % similar Phenylpiperazine92-54-635 % similar 4-(Phenylmethyl)-4-piperidinol51135-96-734 % similar Dimezone S13047-13-733 % similar 1-Phenylpiperazine hydrochloride2210-93-733 % similar 3-Benzyl-3,9-diaza-spiro[5.5]undecane189333-49-132 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Aminopyrine58-15-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook