CAS 504-03-0 Nanofin (HCID 68843)

Overview

RN given refers to parent cpd; structure

Names & identifiers

Preferred name: Nanofin
IUPAC: 2,6-dimethylpiperidine
English name: 2,6-Dimethylpiperidine
Molecular formula: C7H15N
Molecular weight: 113.2

Names & synonyms

2,6-Dimethylpiperidine504-03-0Nanofin2,6-LupetidineNanophynNanofineNanofinaNanofinumNSC-63890329I5805BPDTXSID8048527RefChem:164532

Show more names

(2R,6S)-2,6-dimethylpiperidineNFN26LPTNaniopinNaniopine

DTXCID10197036207-981-6LupetidinNanophinNanophineLupetidineNaniopinumPiperidine, 2,6-dimethyl-

Database identifiers

CAS: 504-03-0、766-17-6
PubChem CID: 68843
DTXSID: DTXSID8048527
ChEMBL: CHEMBL2104431
UNII: 329I5805BP
EC Number: 207-981-6
Nikkaji: J22.051E

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: 62.8

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Amines, Cyclic

SpringerMaterials PropertiesDensity

Vapor Pressure2.56 [mmHg]

Physical DescriptionLight yellow liquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: -20 °C · <-20°C
Boiling point: 127 · 127-128 °C768 mm Hg(lit.)
Density: 0.84 g/mL · 0.84 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.4394(lit.)
Flash point: 53 °F · 53 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Soluble in DMSO
pka: 10.82 · 10.82±0.10(Predicted)
form: liquid
color: Clear, colourless
Water Solubility: MISCIBLE
Sensitive: Air Sensitive
BRN: 79827 · 79827
CAS DataBase Reference: 504 · 504-03-0(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 329 I5805BP · 329I5805BP
NIST Chemistry Reference: Nanofin(504-03-0)
EPA Substance Registry System: 2 · Piperidine, 2,6-dimethyl- (504-03-0)
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 225 · H225-H314-H318
Precautionary statements: 210 · P210-P280-P303+P361+P353-P305+P351+P338-P310
Hazard Codes: F,Xi,C
Risk Statements: 11 · 11-36/37/38-34
Safety Statements: 16 · 16-26-36/37/39-36/37
RIDADR: 1993 · UN 1993 3/PG 2
WGK Germany: 3 · 3
RTECS: 5775000 · OK5775000
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: II
HS Code: 29333999 · 29333999
Limited Quantities: 1 L · 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryAn irritant; [Sigma-Aldrich MSDS] See Piperidine.

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

wgk: 3
tsca: TSCA listed
rtecs: OK5775000
ridadr: UN 1993 3/PG 2
hs_code: 29333999
risk_code: 11-36/37/38-34
Signal word: Danger
Symbol(GHS): GHS02,GHS05
hazard_code: F,Xi,C
safety_code: 16-26-36/37/39-36/37
hazard_class: 3
packing_group: II
Hazard statements: H225-H314-H318
Limited Quantities: 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Precautionary statements: P210-P280-P303+P361+P353-P305+P351+P338-P310

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPiperidine, 2,6-dimethyl-: ACTIVE

Applications

Uses2,6-Dimethylpiperidine is used for n silico study for drug repositioning and novel candidate drugs in anti-tumor necrosis factor refractory Crohn's disease in patients.