1-Benzylpiperidine

HCID 76190

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Basic information

CAS: 2905-56-8
Standard SMILES: c1ccc(CN2CCCCC2)cc1
InChIKey: NZVZVGPYTICZBZ-UHFFFAOYSA-N
Molecular formula: C12H17N
Average molar mass: 175.27 g/mol
Monoisotopic mass: 175.13609955

Names & identifiers

Preferred name: 1-Benzylpiperidine
IUPAC: 1-benzylpiperidine
English name: 1-Benzylpiperidine
Molecular formula: C12H17N
Molecular weight: 175.27

Names & synonyms

1-Benzylpiperidine2905-56-8Piperidine, 1-(phenylmethyl)-N-benzylpiperidine7HZE16210BJ80.591BDTXSID80183289RefChem:75014DTXCID40105780220-809-4benzylpiperidineMFCD00224901

Show more names

1-Benzylpiperidin1-Benzylpiperdine1-Benzylpiperidine >Benidipine Impurity 281-Benzylpiperidine, 95%Cefoperazone Monomer-d5

1-(phenylmethyl)piperidineUNII-7HZE16210Bbenzyl-piperidineN-benzyl piperidineN-benzyl-piperidine1-benzyl-piperidineEINECS 220-809-41-Benzylpiperidine #

Database identifiers

CAS: 2905-56-8
PubChem CID: 76190
DTXSID: DTXSID80183289
ChEMBL: CHEMBL1195764
UNII: 7HZE16210B
EC Number: 220-809-4
Nikkaji: J80.591B

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 132

Physicochemical properties

Melting point: 178 · 178-179 °C
Boiling point: 120 · 120-123°C 9mm
Density: 0 · 0,95 g/cm3
refractive index: 1.526 · 1.5260
Flash point: 120 · 120-123°C/9mm
storage temp.: Sealed in dry,Room Temperature
Water Solubility: Insoluble in water
form: clear liquid
pka: 9.02 · 9.02±0.10(Predicted)
color: Colorless to Light yellow
BRN: 5639 · 5639
CAS DataBase Reference: 2905 · 2905-56-8(CAS DataBase Reference)
FDA UNII: 7 HZE16210B · 7HZE16210B
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)

Safety data

hs_code: 2933399990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a