(S)-(-)-N,alpha-Dimethylbenzylamine

HCID 2060073CAS 19131-99-8

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Grundinformationen

Standard-SMILES: CN[C@@H](C)c1ccccc1
InChIKey: RCSSHZGQHHEHPZ-QMMMGPOBSA-N
Summenformel: C9H13N
Durchschnittliche Molmasse: 135,21 g/mol
Monoisotopische Masse: 135,10479942

Überblick

(S)-(-)-N,alpha-Dimethylbenzylamine is an aralkylamine.

Namen und Bezeichner

Bevorzugter Name: (S)-(-)-N,alpha-Dimethylbenzylamine
IUPAC: (1S)-N-methyl-1-phenylethanamine
Englischer Name: (S)-(-)-N,alpha-dimethylbenzylamine
Summenformel: C9H13N
Molmasse: 135.21

Namen und Synonyme

(S)-(-)-N,alpha-DimethylbenzylamineRefChem:407712606-240-819131-99-8(S)-(-)-N-Methyl-1-phenylethylamine(S)-N-Methyl-1-phenylethanamine(1S)-N-methyl-1-phenylethanamine(S)-N,alpha-dimethylbenzylamine(S)-N-Methyl-1- phenylethylamineMFCD00067113N-Methyl-1-phenylethylamine, (S)-4MU17YEN7Y

Weitere Namen anzeigen

(S)-N-methyl-1-phenylethan-1-amineN-Methyl-1-phenylethanamine(S)-N,α-Dimethylbenzylamine(S)-N-methyl-phenylethyl-amine(S)-(-)-N,A-DIMETHYLBENZYLAMINE(s)-(-)-n,α-dimethylbenzylamine(S)-(-0-N,α-DIMETHYLBENZYLAMINEN-Methyl-(S)-α-phenylethylamine

CHEMBL1907958n-methyl-(s)-1-phenylethylamine(1S)-N-methyl-1-phenyl-ethanamineN-Methyl-N-((1S)-1-phenylethyl)aminemethyl[(1S)-1-phenylethyl]amineN-methyl-N-[(1S)-1-phenylethyl]amine(s)-n-methyl-1-phenylethylamine(S)-(-)-N,|A-Dimethylbenzylamine

Datenbank-Bezeichner

CAS: 19131-99-8
PubChem CID: 2060073
DTXSID: DTXSID40366137
ChEMBL: CHEMBL1907958
ChEBI: CHEBI:230020
UNII: 4MU17YEN7Y
EC Number: 606-240-8
Nikkaji: J57.032J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 84,7

Physikochemische Eigenschaften

Schmelzpunkt: 116 °C · 116°C (estimate)
Siedepunkt: 74 · 74-76 °C11 mm Hg(lit.)
Dichte: 0.928 g/mL · 0.928 g/mL at 20 °C(lit.)
Brechungsindex: 20 · n20/D 1.512(lit.)
Flammpunkt: 143 °F · 143 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: clear liquid
pka: 9.77 · 9.77±0.10(Predicted)
Farbe: Colorless to Almost colorless
BRN: 1446867 · 1446867
InChI: 1S/C9H13N/c1-8(10-2)9-6-4-3-5-7-9/h3-8,10H,1-2H3/t8-/m0/s1
InChIKey: RCSSHZGQHHEHPZ-QMMMGPOBSA-N
SMILES: CN[C@@H](C)c1ccccc1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

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

P260, P261, P264, 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 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.