α-Dimethylamino-o-kresol

2-((Dimethylamino)methyl)phenol

HCID 32897

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Grundinformationen

CAS: 120-65-0
Standard-SMILES: CN(C)Cc1ccccc1O
InChIKey: FUIQBJHUESBZNU-UHFFFAOYSA-N
Summenformel: C9H13NO
Durchschnittliche Molmasse: 151,21 g/mol
Monoisotopische Masse: 151,09971404

Namen und Bezeichner

Bevorzugter Name: 2-((Dimethylamino)methyl)phenol
IUPAC: 2-[(dimethylamino)methyl]phenol
Lokaler Name: α-Dimethylamino-o-kresol
Englischer Name: 2-Dimethylaminomethylphenol (contains phenol)
Summenformel: C9H13NO
Molmasse: 151.21

Namen und Synonyme

2-((Dimethylamino)methyl)phenol120-65-02-(Dimethylaminomethyl)phenol2-[(dimethylamino)methyl]phenolo-(Dimethylaminomethyl)phenolDTXSID3041293Phenol, 2-((dimethylamino)methyl)-alpha-(Dimethylamino)-o-cresolNSC-12220111113M8RTDTXCID8021199Phenol, 2-[(dimethylamino)methyl]-

Weitere Namen anzeigen

(contains Phenol)α-Dimethylamino-o-cresolo-(Dimethylaminomethyl) phenol2-[(dimethylamino)methyl]-pheno2-DiMethylaMinoMethylphenol Phenol, 2-[(dimethylamino)methyl]-2-Dimethylaminomethylphenol, CAS 120-65-02-Dimethylaminomethylphenol(containsPhenol)>

RefChem:1060576204-413-92-DimethylaminomethylphenolN,N-Dimethyl-2-hydroxybenzylaminealpha-Dimethylamino-o-cresol2-Dimethylaminomethylphenol (contains phenol)(2-Hydroxybenzyl)dimethylamineDMP-10

Datenbank-Bezeichner

CAS: 120-65-0、25338-55-0
PubChem CID: 32897
DTXSID: DTXSID3041293
ChEMBL: CHEMBL3182353
UNII: 111113M8RT
EC Number: 204-413-9
Nikkaji: J141.520D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 23,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 114

Experimentelle und physikochemische Eigenschaften

Collision Cross Section162.2 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3041293]

Physikochemische Eigenschaften

Dichte: 1.02 · 1.02
Brechungsindex: 1.53 · 1.5300-1.5340
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
Farbe: Colorless to Red to Green
EPA chemische Informationen: 2 · 2-((Dimethylamino)methyl)phenol (120-65-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

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

P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P308+P316, P316, P317, P318, P319, P321, P330, P337+P317, 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

tsca: TSCA listed
ridadr: 1760
hs_code: 2921.49.5000
risk_code: 34
safety_code: 26-36/37/39
hazard_class: 8
packing_group: II

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPhenol, 2-[(dimethylamino)methyl]-: ACTIVE

Anwendungen

Verwenden2-(Dimethylaminomethyl)phenol, can be used in the preparation of ortho-aminomethylphenols and their derivatives, possessing antibacterial and antifungal activity.