CAS 50533-97-6 N,N-Dimethylpiperidin-4-amine (HCID 417391)

Overview

N,N-Dimethyl-N-(4-piperidinyl)amine is an aminopiperidine.

Names & identifiers

Preferred name: N,N-Dimethylpiperidin-4-amine
IUPAC: N,N-dimethylpiperidin-4-amine
English name: N,N-Dimethylpiperidin-4-amine
Molecular formula: C7H16N2
Molecular weight: 128.22

Names & synonyms

N,N-Dimethylpiperidin-4-amine50533-97-64-(dimethylamino)piperidineEINECS 256-617-2DTXSID50198542RefChem:822631DTXCID10121033256-617-24-Dimethylaminopiperidine4-Piperidinamine, N,N-dimethyl-4-dimethylamino piperidine4-dimethylamino-piperidine

Show more names

EOS-60858AKOS BB-9178CHEMBRDG-BB 4018153N,N-Dimethylpiperidin-4-aminN,N''-DIMETHYLAMINOPIPERIDINE4-DIMETHYLAMINO-PIPERIDINE 98%

MFCD00023144N,N-dimethyl-4-piperidinamine4-(n,n-dimethylamino)piperidineDimethyl-piperidin-4-yl-amineN,N-dimethyl-N-(4-piperidinyl)amineN,N-dimethylpiperidine-4-amineDimethylpiperidin-4-ylamine1-dimethyl-4-piperidinamine

Database identifiers

CAS: 50533-97-6
PubChem CID: 417391
DTXSID: DTXSID50198542
ChEMBL: CHEMBL176900
ChEBI: CHEBI:231274
UNII: WS2J4P7D5R
EC Number: 256-617-2
Nikkaji: J259.959G

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 75

Physicochemical properties

Boiling point: 187 °C · 187°C
Density: 1.09 g/ml · 1.09g/ml
Flash point: 187 °C · 187°C
refractive index: 1.476 · 1.4760
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: liquid
pka: 10.1 · 10.10±0.10(Predicted)
color: Clear, colourless
BRN: 1190 · 1190
InChI: InChI=1S/C7H16N2/c1-9(2)7-3-5-8-6-4-7/h7-8H,3-6H2,1-2H3
InChIKey: YFJAIURZMRJPDB-UHFFFAOYSA-N
SMILES: N1CCC(N(C)C)CC1
CAS DataBase Reference: 50533 · 50533-97-6(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Hazard Codes: Xi,Xn
Risk Statements: 10 · 10-34-22
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 2734 · 2734
WGK Germany: 3 · WGK 3
Hazard Note: Irritant
HazardClass: 8 · 8
PackingGroup: III
HS Code: 2933399990 · 2933399990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (62.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 64 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 CategoriesAcute Tox. 4 (62.5%)

Safety data

wgk: WGK 3
ridadr: 2734
hs_code: 2933399990
risk_code: 10-34-22
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 10 - Combustible liquids
packing_group: III
Hazard statements: H314-H318
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses4-(Dimethylamino)piperidine is having molecular features associated with polyamine modulation of N-methyl-D-aspartate receptors. It is utilized as a mechanism for reducing the effects of alcohol dependence.