N-Methyl-4-methylbenzylamine

HCID 2794640CAS 699-04-7

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CNCc1ccc(C)cc1
InChIKey: YDFFIGRIWDSNOZ-UHFFFAOYSA-N
Summenformel: C9H13N
Durchschnittliche Molmasse: 135,21 g/mol
Monoisotopische Masse: 135,10479942

Namen und Bezeichner

Bevorzugter Name: N-Methyl-4-methylbenzylamine
IUPAC: N-methyl-1-(4-methylphenyl)methanamine
Englischer Name: N-Methyl-N-(4-methylbenzyl)amine
Summenformel: C9H13N
Molmasse: 135.21

Namen und Synonyme

699-04-7N-Methyl-4-methylbenzylamineDTXSID60383285RefChem:830477DTXCID70334309810-852-2N-Methyl-1-(p-tolyl)methanamineN-Methyl-N-(4-Methylbenzyl)amineN-methyl-1-(4-methylphenyl)methanaminemethyl[(4-methylphenyl)methyl]amineMFCD04115412Benzenemethanamine, N,4-dimethyl-

Weitere Namen anzeigen

CHEMBRDG-BB 4004536N-Methyl-N-(4-methylN,4-Dimethylbenzylamine(4-Methylbenzyl)methylamineN-methyl-p-methylbenzylamine4-[(Methylamino)methyl]toluene

4-Methyl-N-methylbenzylamineMethyl(4-methylbenzyl)amine4,N-dimethylbenzylamineSCHEMBL296509CS-W003184SY004191Z56944115FT-0694845

Datenbank-Bezeichner

CAS: 699-04-7
PubChem CID: 2794640
DTXSID: DTXSID60383285
EC Number: 810-852-2
Nikkaji: J997.542J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 82

Physikochemische Eigenschaften

Schmelzpunkt: 70 °C · 70°C
Siedepunkt: 70 · 70 ºC (1 MMHG)
Dichte: 0.917 · 0.917±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand: liquid
pka: 9.98 · 9.98±0.10(Predicted)
Farbe: Colorless
InChI: 1S/C9H13N/c1-8-3-5-9(6-4-8)7-10-2/h3-6,10H,7H2,1-2H3
InChIKey: YDFFIGRIWDSNOZ-UHFFFAOYSA-N
SMILES: CNCc1ccc(C)cc1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.