1-Methylpiperidin-4-methylamin

1-Methylpiperidine-4-methylamine

HCID 81574CAS 7149-42-0

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Grundinformationen

Standard-SMILES: CN1CCC(CN)CC1
InChIKey: AGTPSAZJSOQXHJ-UHFFFAOYSA-N
Summenformel: C7H16N2
Durchschnittliche Molmasse: 128,22 g/mol
Monoisotopische Masse: 128,13134852

Namen und Bezeichner

Bevorzugter Name: 1-Methylpiperidine-4-methylamine
IUPAC: (1-methylpiperidin-4-yl)methanamine
Lokaler Name: 1-Methylpiperidin-4-methylamin
Englischer Name: (1-Methyl-4-piperidinyl)methanamine
Summenformel: C7H16N2
Molmasse: 128.22

Namen und Synonyme

1-Methylpiperidine-4-methylamineEINECS 230-477-2DTXSID50221708NSC 72092RefChem:434662DTXCID40144199230-477-27149-42-0(1-methylpiperidin-4-yl)methanamine(1-methyl-4-piperidinyl)methanamine1-methyl-piperidin-4-methylamine4-(aminomethyl)-1-methylpiperidine

Weitere Namen anzeigen

AKOS B025002BUTTPARK 145\06-16TIMTEC-BB SBB009719ART-CHEM-BB B025002CHEMBRDG-BB 41030031-Methyl-4-(aMinoMethyl)p...(1-METHYL-4-PIPERIDINYL)METHAN

4-piperidinemethanamine, 1-methyl-MFCD050224301-Methyl-4-(aminomethyl)piperidine1-(1-methylpiperidin-4-yl)methanamine4-aminomethyl-1-methylpiperidineC-(1-Methyl-piperidin-4-yl)-methylamineCHEMBL4536092NSC-72092

Datenbank-Bezeichner

CAS: 7149-42-0
PubChem CID: 81574
DTXSID: DTXSID50221708
ChEMBL: CHEMBL4536092
UNII: SN4T9RA4WM
EC Number: 230-477-2
Nikkaji: J227.406J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,1
Polarare Oberfläche (TPSA): 29,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 75

Physikochemische Eigenschaften

Schmelzpunkt: 0 °C · 0°C
Siedepunkt: 80 °C · 80 °C
Dichte: 0.901 · 0.901±0.06 g/cm3(Predicted)
Flammpunkt: 0 °C · 0°C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: liquid
pka: 10.13 · 10.13±0.29(Predicted)
Farbe: Pale yellow
InChI: InChI=1S/C7H16N2/c1-9-4-2-7(6-8)3-5-9/h7H,2-6,8H2,1H3
InChIKey: AGTPSAZJSOQXHJ-UHFFFAOYSA-N
SMILES: N1(C)CCC(CN)CC1
CAS Datenbank: 7149 · 7149-42-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H226 (88.9%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (93.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 8 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.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (88.9%)；Acute Tox. 4 (93.3%)；Skin Corr. 1C (100%)

Sicherheitsdaten

wgk: 1
ridadr: 2735
hs_code: 29333990
risk_code: 34-20/22-22-10
hazard_code: C,Xi
hazard_note: Corrosive
safety_code: 26-36/37/39-45-23
hazard_class: IRRITANT
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1C

Chemie und Industrie

Anwendungen

Verwenden(1-methyl-4-piperidinyl)methanamine is a reagent used in the synthesis of novel indole-carboxamides which are inhibitors of neurotropic alphavirus.