CAS 19678-58-1 Piperidine, 4-(1-methylethyl)- (HCID 140569)

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Basic information

CAS: 19678-58-1
Standard SMILES: CC(C)C1CCNCC1
InChIKey: YBPWIUSXQXYTSR-UHFFFAOYSA-N
Molecular formula: C8H17N
Average molar mass: 127.23 g/mol
Monoisotopic mass: 127.13609954

Names & identifiers

Preferred name: Piperidine, 4-(1-methylethyl)-
IUPAC: 4-propan-2-ylpiperidine
English name: 4-Isopropylpiperidine
Molecular formula: C8H17N
Molecular weight: 127.23

Names & synonyms

4-Isopropylpiperidine19678-58-1Piperidine, 4-(1-methylethyl)-DTXSID20173346RefChem:863542DTXCID0095837678-576-34-propan-2-ylpiperidine4-(propan-2-yl)piperidineMFCD090553424-isopropyl-piperidinepiperidine, 4-isopropyl-

Show more names

4-Isopropylpiperidine>4-(prop-2-yl)hexahydropyridine

SCHEMBL104851SCHEMBL239991SCHEMBL293928SCHEMBL81697514-Isopropylpiperidine, AldrichCPRAKOS0124577924-isopropylpiperidine(SALTDATA: HCl)SB42681

Database identifiers

CAS: 19678-58-1
PubChem CID: 140569
DTXSID: DTXSID20173346
EC Number: 678-576-3
Nikkaji: J3.739.455F

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 72.6

Physicochemical properties

Melting point: -1 °C · -1°C (estimate)
Boiling point: 171 °C · 171 °C
Density: 0.86 · 0.86
refractive index: 1.456 · 1.4560-1.4600
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: clear liquid
pka: 10.71 · 10.71±0.10(Predicted)
color: Colorless to Almost colorless
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H315-H319
Precautionary statements: 210 · P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
Hazard Codes: Xi
Risk Statements: 37 · 37/38-41
Safety Statements: 26 · 26-39

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

ridadr: 1993
hs_code: 2933399990
risk_code: 37/38-41
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi
safety_code: 26-39
hazard_class: 3
packing_group: III
Hazard statements: H226-H315-H319
Precautionary statements: P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501