1-Benzyl-4-piperidone oxime

HCID 70365CAS 949-69-9

Substructure search Find similar structures

Basic information

Standard SMILES: ON=C1CCN(Cc2ccccc2)CC1
InChIKey: VIMRHNNRKUWOIZ-UHFFFAOYSA-N
Molecular formula: C12H16N2O
Average molar mass: 204.27 g/mol
Monoisotopic mass: 204.12626313

Names & identifiers

Preferred name: 1-Benzyl-4-piperidone oxime
IUPAC: N-(1-benzylpiperidin-4-ylidene)hydroxylamine
English name: 1-benzyl-4-piperidone oxime
Molecular formula: C12H16N2O
Molecular weight: 204.27

Names & synonyms

949-69-91-Benzyl-4-piperidone oximeEINECS 213-443-11-(Phenylmethyl)-4-piperidinone oximeDTXSID60241679RefChem:429947DTXCID40164170213-443-11-Benzylpiperidin-4-one oxime1-Benzyl-piperidin-4-one oximeN-(1-benzylpiperidin-4-ylidene)hydroxylamine1-Benzyl-4-piperidinone oxime

Show more names

1-benzyl-4-piperidonCinitapride Impurity 5Cinitapride Impurity 141-Benzylpiperidine-4-oneoximeN-benzyl-4-(N-hydroxyimino)piperidine4-Piperidinone,1-(phenylMethyl)-, oxiMeN-benzyl 4- (N-hydroxyimine) piperidine, oxime

MFCD00277794UU9Z7MT83T4-Piperidinone, 1-(phenylmethyl)-, oxime1-Benzylpiperidin-4-oneoximeCBDivE_001914Maybridge1_004091Maybridge1_006623UNII-UU9Z7MT83T

Database identifiers

CAS: 949-69-9
PubChem CID: 70365
DTXSID: DTXSID60241679
UNII: UU9Z7MT83T
EC Number: 213-443-1
Nikkaji: J298.553E

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 35.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 212

Physicochemical properties

Melting point: 126 · 126-128 °C(Solv: chloroform (67-66-3); ligroine (8032-32-4))
Boiling point: 338.5 · 338.5±35.0 °C(Predicted)
Density: 1.12 · 1.12±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 12.14 · 12.14±0.20(Predicted)
Appearance: White to light yellow Solid
FDA UNII: 9 Z7MT83T · UU9Z7MT83T
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313