Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzenemethanol,α-[1-(methylamino)ethyl]- |
EINECS | N/A |
CAS No. | 53214-57-6 | Density | 1.015 g/cm3; |
PSA | 32.26000 | LogP | 1.71880 |
Solubility | N/A | Melting Point |
118-118.7 °C |
Formula | C10H15NO | Boiling Point | 255 °C at 760 mmHg |
Molecular Weight | 165.235 | Flash Point | 85.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Phenyl-2-methylamino-1-propanol;2-(Methylamino)-1-phenyl-1-propanol;NSC 165609; |
Article Data | 35 |
The Benzenemethanol, α-[1-(methylamino)ethyl]-, with the CAS registry number 53214-57-6, is also known as 1-Phenyl-2-methylamino-1-propanol. This chemical's molecular formula is C10H15NO and molecular weight is 165.2322. What's more, its IUPAC name is 2-(Methylamino)-1-phenylpropan-1-ol.
Physical properties about Benzenemethanol, α-[1-(methylamino)ethyl]- are: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.99; (4)ACD/LogD (pH 7.4): -0.96; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 50.15 cm3; (15)Molar Volume: 162.7 cm3; (16)Polarizability: 19.88×10-24 cm3; (17)Surface Tension: 38 dyne/cm; (18)Density: 1.015 g/cm3; (19)Flash Point: 85.6 °C; (20)Enthalpy of Vaporization: 52.03 kJ/mol; (21)Boiling Point: 255 °C at 760 mmHg; (22)Vapour Pressure: 0.00865 mmHg at 25 °C.
Uses of Benzenemethanol, α-[1-(methylamino)ethyl]-: it is used to produce other chemicals. For example, it is used to produce (-)-Epheridne methyl ester. The reaction needs reagent KH and solvent Tetrahydrofuran. The yield is about 73 %.
You can still convert the following datas into molecular structure:
(1) SMILES: OC(c1ccccc1)C(NC)C
(2) InChI: InChI=1/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3
(3) InChIKey: KWGRBVOPPLSCSI-UHFFFAOYAR
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 100mg/kg (100mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05712, |