Hot Products

Basic Information

Post buying leads

Suppliers

Cas Database

Name	Benzenemethanol,α-[2-(dimethylamino)ethyl]-	EINECS	N/A
CAS No.	5554-64-3	Density	1.011 g/cm³
PSA	23.47000	LogP	1.67170
Solubility	N/A	Melting Point	47-48℃
Formula	C₁₁H₁₇NO	Boiling Point	284.4 °C at 760 mmHg
Molecular Weight	179.262	Flash Point	99.8 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Benzylalcohol,α-[2-(dimethylamino)ethyl]-(6CI,7CI,8CI);3-Dimethylamino-1-phenyl-1-propanol;N,N-Dimethyl-3-hydroxy-3-phenylpropylamine;N,N-Dimethyl-3-phenyl-3-hydroxypropylamine;	Article Data	37

Benzenemethanol,α-[2-(dimethylamino)ethyl]- Synthetic route

: 879-72-1
3-(dimethylamino)propiophenone hydrochloride

: 5554-64-3
N,N-dimethyl-3-hydroxy-3-phenylpropylamine

Conditions

Conditions	Yield
With methanol; sodium tetrahydroborate; sodium hydroxide at 20℃; for 1h; pH=12 - 13; Cooling with ice;	96%
Stage #1: 3-(dimethylamino)propiophenone hydrochloride With potassium hydroxide In water Stage #2: With methanol; sodium tetrahydroborate; potassium hydroxide at 0 - 22℃; for 1.5h;	95%
With diisobutylaluminium hydride In tetrahydrofuran; dichloromethane for 2h; Ambient temperature;	92%

: 3506-36-3
3-dimethylaminopropiophenone

: 5554-64-3
N,N-dimethyl-3-hydroxy-3-phenylpropylamine

Conditions

Conditions	Yield
With sodium tetrahydroborate In water at 0 - 20℃;	91%
With lithium aluminium tetrahydride
With aluminium trichloride; aluminum isopropoxide; isopropyl alcohol

: 87968-05-6
N,N-Dimethyl-α-chlorobenzoylacetamide

A: 5554-64-3
N,N-dimethyl-3-hydroxy-3-phenylpropylamine

: 1201-56-5
(+/-)-N-methylephedrine

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In diethyl ether for 20h; Heating;	A n/a B 24%

: 18776-12-0
3-chloro-1-phenyl-propan-1-ol

: 124-40-3
dimethyl amine

: 5554-64-3
N,N-dimethyl-3-hydroxy-3-phenylpropylamine

: 292638-84-7
styrene

: 30438-74-5
N-(chloromethyl)dimethylamine

A: 30457-88-6
2-benzyl-2-propenal

B: 5554-64-3
N,N-dimethyl-3-hydroxy-3-phenylpropylamine

C: 23580-89-4
methyl-(3-phenyl-propyl)-amine

D: 93948-20-0
bis-(3-phenyl-propyl)-amine

Conditions

Conditions	Yield
In acetonitrile for 12h; Heating; Yield given. Further byproducts given. Yields of byproduct given;

...Expand

: 60-29-7
diethyl ether

: 7732-18-5
water

: 3506-36-3
3-dimethylaminopropiophenone

activated aluminium: activated aluminium

A: 5554-64-3
N,N-dimethyl-3-hydroxy-3-phenylpropylamine

B 1.6-bis-dimethylamino-3.4-diphenyl-hexanediol-(3.4): 1.6-bis-dimethylamino-3.4-diphenyl-hexanediol-(3.4)

...Expand

β-dimethylamino-propiophenone hydrochloride: β-dimethylamino-propiophenone hydrochloride

: 5554-64-3
N,N-dimethyl-3-hydroxy-3-phenylpropylamine

Conditions

Conditions	Yield
With water; palladium Hydrogenation;

3-dimethylamino-1-phenyl-propanone-(1)-hydrochloride: 3-dimethylamino-1-phenyl-propanone-(1)-hydrochloride

: 5554-64-3
N,N-dimethyl-3-hydroxy-3-phenylpropylamine

Conditions

Conditions	Yield
With water; nickel Hydrogenation;

: 879-72-1
3-(dimethylamino)propiophenone hydrochloride

: 7732-18-5
water

palladium/charcoal: palladium/charcoal

: 5554-64-3
N,N-dimethyl-3-hydroxy-3-phenylpropylamine

Conditions

Conditions	Yield
Hydrogenation;

: 98-86-2
acetophenone

: 5554-64-3
N,N-dimethyl-3-hydroxy-3-phenylpropylamine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 83 percent / aq. HCl / ethanol / 2 h / Heating 2: 91 percent / NaBH4 / H2O / 0 - 20 °C View Scheme
Multi-step reaction with 2 steps 1: hydrogenchloride / ethanol; water / 3 h / Heating / reflux 2: sodium tetrahydroborate / ethanol / 0 - 20 °C View Scheme
Multi-step reaction with 2 steps 1.1: hydrogenchloride / ethanol / 2 h / Reflux 2.1: potassium hydroxide / water 2.2: 1.5 h / 0 - 22 °C View Scheme

Benzenemethanol,α-[2-(dimethylamino)ethyl]- Specification

The Benzenemethanol, α-[2-(dimethylamino)ethyl]-, with the CAS registry number 5554-64-3, is also known as 1-Phenyl-3-(dimethylamino)-1-propanol. This chemical's molecular formula is C₁₁H₁₇NO and molecular weight is 179.258780. What's more, its IUPAC name is 3-(Dimethylamino)-1-phenylpropan-1-ol.

Physical properties about Benzenemethanol, α-[2-(dimethylamino)ethyl]- are: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.67; (4)ACD/LogD (pH 7.4): -0.35; (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): 2.75; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 54.95 cm³; (15)Molar Volume: 177.2 cm³; (16)Polarizability: 21.78×10^-24 cm³; (17)Surface Tension: 39.4 dyne/cm; (18)Density: 1.011 g/cm³; (19)Flash Point: 99.8 °C; (20)Enthalpy of Vaporization: 55.28 kJ/mol; (21)Boiling Point: 284.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0014 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(c1ccccc1)CCN(C)C
(2) InChI: InChI=1/C11H17NO/c1-12(2)9-8-11(13)10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3
(3) InChIKey: VELGOYBSKBKQFF-UHFFFAOYAB

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	200mg/kg (200mg/kg)		National Technical Information Service. Vol. AD277-689,

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 5554-64-3