CAS 64180-07-0 1-Methylindolin-5-amine (HCID 22637122)

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Grundinformationen

CAS: 64180-07-0
Standard-SMILES: CN1CCc2cc(N)ccc21
InChIKey: JYSFDZGGGCGZGO-UHFFFAOYSA-N
Summenformel: C9H12N2
Durchschnittliche Molmasse: 148,2 g/mol
Monoisotopische Masse: 148,10004839

Namen und Bezeichner

Bevorzugter Name: 1-Methylindolin-5-amine
IUPAC: 1-methyl-2,3-dihydroindol-5-amine
Englischer Name: 5-Amino-1-methylindoline 97%
Summenformel: C9H12N2
Molmasse: 148.21

Namen und Synonyme

64180-07-01-METHYLINDOLIN-5-AMINE1-methyl-2,3-dihydroindol-5-amine5-Amino-1-methylindoline1-METHYL-5-INDOLINAMINE1-METHYL-2,3-DIHYDRO-1H-INDOL-5-YLAMINE1-METHYL-2,3-DIHYDRO-1H-INDOL-5-AMINEMFCD090350711-methylindoline-5-ylamine1-methyl-5-aminoindolineSCHEMBL2333530SCHEMBL3154176

Weitere Namen anzeigen

5-Amino-1-methylindoline 97%5-Amino-1-methylindoline 97%5-Amino-1-methyl-2,3-dihydro-1H-indole1H-Indol-5-amine, 2,3-dihydro-1-methyl-5-Amino-2,3-dihydro-1-methyl-1H-indole, 2,3-Dihydro-1-methyl-1H-indol-5-amine

DTXSID40627194JYSFDZGGGCGZGO-UHFFFAOYSA-NSBB086599AKOS000223666AB49440DB-073459CS-0300997EN300-62710

Datenbank-Bezeichner

CAS: 64180-07-0
PubChem CID: 22637122
DTXSID: DTXSID40627194
EC Number: 161-074-9
Nikkaji: J3.224.326F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 29,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 146

Physikochemische Eigenschaften

Schmelzpunkt: 37.5 · 37.5-38.5°C
Siedepunkt: 123.5 °C · 123.5 °C(Press: 3 Torr)
Dichte: 1.123 · 1.123±0.06 g/cm3(Predicted)
pka: 7.76 · 7.76±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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.