3,3-Dimethylpiperidine

HCID 70942

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Basic information

CAS: 1193-12-0
Standard SMILES: CC1(C)CCCNC1
InChIKey: CDODDZJCEADUQQ-UHFFFAOYSA-N
Molecular formula: C7H15N
Average molar mass: 113.2 g/mol
Monoisotopic mass: 113.12044948

Names & identifiers

Preferred name: 3,3-Dimethylpiperidine
IUPAC: 3,3-dimethylpiperidine
English name: 3,3-DIMETHYLPIPERIDINE
Molecular formula: C7H15N
Molecular weight: 113.2

Names & synonyms

3,3-Dimethylpiperidine1193-12-0Piperidine, 3,3-dimethyl-3,3-dimethyl piperidineEINECS 214-767-6DTXSID50152402RefChem:90823DTXCID0074893214-767-6CDODDZJCEADUQQ-UHFFFAOYSA-NInChI=1/C7H15N/c1-7(2)4-3-5-8-6-7/h8H,3-6H2,1-2H3,3-Dimethyl-Piperidine

Show more names

ASINEX-REAG BAS 131493813,3-dimethylpiperidine(SALTDATA: FREE)

MFCD00005995J6CAH5XM5LSCHEMBL261573,3-DIMETHYLPIPERDINESCHEMBL597395SCHEMBL3161689SCHEMBL3817656SCHEMBL6585409

Database identifiers

CAS: 1193-12-0
PubChem CID: 70942
DTXSID: DTXSID50152402
UNII: J6CAH5XM5L
EC Number: 214-767-6
Nikkaji: J203.460C

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 76.5

Experimental & physicochemical properties

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Physicochemical properties

Boiling point: 134 · 134-136°C
Density: 0.81 · 0.81
refractive index: 1.4475 · 1.4475
Flash point: 134 · 134-136°C
pka: 10.52 · 10.52±0.10(Predicted)
Sensitive: Air Sensitive
CAS DataBase Reference: 1193 · 1193-12-0(CAS DataBase Reference)
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 226 · H226-H314-H318
Precautionary statements: 210 · P210-P280-P303+P361+P353-P305+P351+P338-P310
Hazard Codes: Xi,C,Xn
Risk Statements: 36 · 36/37/38-34-10-22
Safety Statements: 26 · 26-36-45-36/37/39-20
RIDADR: 2733 · 2733
HazardClass: 3 · 3
PackingGroup: III

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, 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.