Product Name: 4-(1-sec-Butyl-2-(dimethylamino)ethyl)phenol (CAS NO.69745-66-0)
Molecular Formula: C14H23NO
Molecular Weight: 221.38g/mol
Mol File: 69745-66-0.mol
Boiling point: 315.1 °C at 760 mmHg
Flash Point: 126.5 °C
Density: 0.972 g/cm3
Surface Tension: 36.4 dyne/cm
Enthalpy of Vaporization: 57.85 kJ/mol
Vapour Pressure: 0.000242 mmHg at 25°C
XLogP3-AA: 3.5
H-Bond Donor: 1
H-Bond Acceptor: 2
Structure Descriptors of 4-(1-sec-Butyl-2-(dimethylamino)ethyl)phenol (CAS NO.69745-66-0):
IUPAC Name: 4-Butan-2-yl-2-(2-dimethylaminoethyl)phenol
Canonical SMILES: CCC(C)C1=CC(=C(C=C1)O)CCN(C)C
InChI: InChI=1S/C14H23NO/c1-5-11(2)12-6-7-14(16)13(10-12)8-9-15(3)4/h6-7,10-11,16H,5,8-9H2,1-4H3
InChIKey: MTJOZEKFPWZGCS-UHFFFAOYSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 85mg/kg (85mg/kg) | Chimica Therapeutica. Vol. 6, Pg. 453, 1971. | |
mouse | LD50 | oral | 437mg/kg (437mg/kg) | Chimica Therapeutica. Vol. 6, Pg. 453, 1971. |
Poison by ingestion and intravenous routes. When heated to decomposition it emits toxic fumes of NOx.
4-(1-sec-Butyl-2-(dimethylamino)ethyl)phenol , its CAS NO. is 69745-66-0, the synonym is Phenol, 4-(1-(sec-butyl)-2-(dimethylamino)ethyl)- .
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