4-(Piperidin-1-yl)benzaldehyde

HCID 291354

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Substructure search Find similar structures

Basic information

CAS: 10338-57-5
Standard SMILES: O=Cc1ccc(N2CCCCC2)cc1
InChIKey: ILJVPSVCFVQUAD-UHFFFAOYSA-N
Molecular formula: C12H15NO
Average molar mass: 189.25 g/mol
Monoisotopic mass: 189.1153641

Names & identifiers

Preferred name: 4-(Piperidin-1-yl)benzaldehyde
IUPAC: 4-piperidin-1-ylbenzaldehyde
English name: 4-Piperidin-1-yl-benzaldehyde
Molecular formula: C12H15NO
Molecular weight: 189.25

Names & synonyms

4-(piperidin-1-yl)benzaldehydeDTXSID80303081RefChem:516659DTXCID10254214627-145-810338-57-54-Piperidin-1-yl-benzaldehyde4-piperidinobenzaldehyde4-piperidin-1-ylbenzaldehyde4-Piperidinobenzenecarbaldehyde4-(1-Piperidinyl)benzaldehydeMFCD00778395

Show more names

AKOS BC-2977TIMTEC-BB SBB010803IFLAB-BB F1274-02301-(4-Formylphenyl)piperidine4-Piperdin-1-yl benzaldehyde

4-(1-piperidyl)benzaldehydeMLS000693674SMR000285407NSC156549Opera_ID_1934SCHEMBL896372orb3022687SCHEMBL4871815

Database identifiers

CAS: 10338-57-5
PubChem CID: 291354
DTXSID: DTXSID80303081
ChEMBL: CHEMBL1599826
EC Number: 627-145-8
Nikkaji: J955.933G

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 179

Physicochemical properties

Melting point: 61 · 61-64 °C
Boiling point: 344.3 · 344.3±25.0 °C(Predicted)
Density: 1.091 · 1.091±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 3.88 · 3.88±0.20(Predicted)
form: solid
color: Yellow
InChI: 1S/C12H15NO/c14-10-11-4-6-12(7-5-11)13-8-2-1-3-9-13/h4-7,10H,1-3,8-9H2
InChIKey: ILJVPSVCFVQUAD-UHFFFAOYSA-N
SMILES: [H]C(=O)c1ccc(cc1)N2CCCCC2
CAS DataBase Reference: 10338 · 10338-57-5(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/39
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 2933399990 · 2933399990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

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 42 reports by companies from 5 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

wgk: 3
hs_code: 2933399990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/39
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 1 item

UsesReactant for synthesis of:Anti-inflammatory agentsPiperidine incorporated α-aminophosphonates for antibacterial agents5-Hydroxyaurone derivatives as growth inhibitors against HUVEC and some cancer cell linesNR2B selective NMDA receptor antagonistsFulleropyrrolidinesFluorophores for monitoring polymerization processes