CAS No.53214-57-6,2-(METHYLAMINO)-1-PHENYL-1-PROPANOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	53214-57-6
Name:	2-(METHYLAMINO)-1-PHENYL-1-PROPANOL
Article Data:	35

Formula:	C₁₀H₁₅NO
Molecular Weight:	165.235
Synonyms:	1-Phenyl-2-methylamino-1-propanol;2-(Methylamino)-1-phenyl-1-propanol;NSC 165609;
Density:	1.015 g/cm³;
Melting Point:	118-118.7 °C
Boiling Point:	255 °C at 760 mmHg
Flash Point:	85.6 °C
PSA:	32.26000
LogP:	1.71880

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Specification

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^-24cm³; (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 %.

Benzenemethanol,a-[1-(methylamino)ethyl]- can be used to obtain (-)-Epheridne methyl ester

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,