Grundinformationen
- Standard-SMILES
CNCc1cccc(C)c1- InChIKey
WCTNVGNEUDTSOZ-UHFFFAOYSA-N- Summenformel
- C9H13N
- Durchschnittliche Molmasse
- 135,21 g/mol
- Monoisotopische Masse
- 135,10479942
Namen und Bezeichner
- Bevorzugter Name
- 3-Methyl-N-methylbenzylamine
- IUPAC
- N-methyl-1-(3-methylphenyl)methanamine
- Englischer Name
- 3-Methyl-N-methylbenzylamine 97
- Summenformel
- C9H13N
- Molmasse
- 135.21
Namen und Synonyme
3-Methyl-N-methylbenzylamineRefChem:504105626-034-139180-84-2N-Methyl-1-(m-tolyl)methanamine(3-Methylbenzyl)methylamineN-methyl-1-(3-methylphenyl)methanamineN-Methyl-3-methylbenzylamineMFCD058651813-METHYL-N-METHYLBENZYLAMINE 97methyl[(3-methylphenyl)methyl]amineBenzenemethanamine, N,3-dimethyl-
Weitere Namen anzeigen
3-METHYL-N-METHYLBEN3-Methyl-N-methylbenzylamine 97%3-Methyl-N-methylbenzylamine 97
N,3-DimethylbenzylamineSCHEMBL1038988SCHEMBL3482884SCHEMBL4574673SCHEMBL6896553SCHEMBL6896555SCHEMBL19581821SCHEMBL27651823
Datenbank-Bezeichner
- CAS
39180-84-2- PubChem CID
- 13794465
- DTXSID
DTXSID50549651- EC Number
- 626-034-1
- Nikkaji
- J1.474.749D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 12 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 90,7
Physikochemische Eigenschaften
- Siedepunkt
- 90 · 90-92 °C/15 mmHg (lit.)
- Dichte
- 0.9 g/mL · 0.900 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.5190(lit.)
- Flammpunkt
- 174 °F · 174 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Aggregatzustand
- clear liquid
- pka
- 9.94 · 9.94±0.10(Predicted)
- Farbe
- Colorless to Light yellow to Light orange
- Wasserlöslichkeit
- Slightly soluble in water.
- InChI
- 1S/C9H13N/c1-8-4-3-5-9(6-8)7-10-2/h3-6,10H,7H2,1-2H3
- InChIKey
- WCTNVGNEUDTSOZ-UHFFFAOYSA-N
- SMILES
- CNCc1cccc(C)c1
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesEye Dam. 1 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- NA 1993 / PGIII
- hs_code
- 2921490090
- risk_code
- 41
- hazard_code
- Xi
- safety_code
- 26-39
- hazard_class
- 8
- packing_group
- II
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Dam. 1
Chemie und Industrie
Anwendungen
Verwenden3-Methyl-N-methylbenzylamine, is an important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.
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