N-Methyl-1H-indole-3-methanamine

HCID 96388CAS 36284-95-4

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Grundinformationen

Standard-SMILES: CNCc1c[nH]c2ccccc12
InChIKey: BIFJNBXQXNWYOL-UHFFFAOYSA-N
Summenformel: C10H12N2
Durchschnittliche Molmasse: 160,22 g/mol
Monoisotopische Masse: 160,10004838

Überblick

3-(methylaminomethyl)indole is an aminoalkylindole that is indole carrying a methylaminomethyl substituent at postion 3. It has a role as a plant metabolite. It is an aminoalkylindole, an indole alkaloid and a secondary amino compound.

Namen und Bezeichner

Bevorzugter Name: N-Methyl-1H-indole-3-methanamine
IUPAC: 1-(1H-indol-3-yl)-N-methylmethanamine
Englischer Name: 1H-Indole-3-methanamine, N-methyl-
Summenformel: C10H12N2
Molmasse: 160.22

Namen und Synonyme

36284-95-41-(1H-indol-3-yl)-N-methylmethanamineN-Methyl-3-aminomethylindoleNMAMI1H-Indole-3-methanamine, N-methyl-HM87YT7IUSDTXSID20189826N-METHYL-1H-INDOLE-3-METHANAMINERefChem:854729DTXCID80112317N-NorgramineN-METHYL-N-[(1H-INDOL-3-YL)METHYL]AMINE

Weitere Namen anzeigen

1,4-Pentanediamine,N4-(6-methoxy-12-quinolinyl)-N-Methyl-N-[(1H-Indol-3-Yl)Methyl]Amine(WX609064)N-(1H-indol-3-ylmethyl)-N-methylamine hydrochloride2-Piperidinecarboxylicacid,methylester,(2R)-,hydrochloride(1:5)

N-Methyl-N-[1H-indol-3-yl)methyl]amine[(1H-indol-3-yl)methyl](methyl)amine3-(methylaminomethyl)indoleMFCD03011586N-methyl-N-(indol-3-ylmethyl)amine(Indol-3-ylmethyl)methylamineCHEBI:137310(indol-3-yl)-N-methylmethanamine

Datenbank-Bezeichner

CAS: 36284-95-4
PubChem CID: 96388
DTXSID: DTXSID20189826
ChEBI: CHEBI:137310
UNII: HM87YT7IUS
EC Number: 975-475-9
Nikkaji: J580.088I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 27,8 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 147

Physikochemische Eigenschaften

Siedepunkt: 311.7 · 311.7±17.0 °C(Predicted)
Dichte: 1.116 · 1.116±0.06 g/cm3(Predicted)
pka: 17.34 · 17.34±0.30(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, 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.