N-Benzyl-N-(2-chloroethyl)-1-phenoxy-2-propanamine hydrochloride (1:1)

Basic Information

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CAS Number

63-92-3

Molecular Formula

C18H23Cl2NO

Molecular Weight

340.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

135.0 to 140.0 deg-C

Boiling Point

381.5°C at 760 mmHg

Water Solubility

<0.01 g/100 mL at 18.5 ºC

Flash Point

184.5 °C

Solubility

H2O: slightly soluble

SMILES

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CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2.Cl

InChI

InChI=1S/C18H22ClNO.ClH/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17;/h2-11,16H,12-15H2,1H3;1H

InChIKey

VBCPVIWPDJVHAN-UHFFFAOYSA-N

LogP

4.616700000000004

Topological Polar Surface Area

12.47 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

262

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H351 Suspected of causing cancer
Carcinogenicity

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

PHENOXYBENZAMINE HYDROCHLORIDE [MI]
Bensylyt NEN
BCP28467
SR-01000000017-6
J-009731
NSC759572
Benzenemethanamine, N-(2-chloroethyl)-N-(1-methyl-2-phenoxyethyl)-,hydrochloride
SR-01000000017-2
WLN: G2N1R&Y1&1OR &GH
Phenoxybenzamine hydrochloride, >=97%, powder
fenoxybenzamin
FT-0603264
POB HCl
NSC37448
Phenoxybenzamine chloride
N-2-phenoxyisopropyl- N-benzyl-chloroethylamine hydrochloride
NC00598
Opera_ID_300
Benzylamine, N-(2-chloroethyl)-N-(1-methyl-2-phenoxyethyl)-, hydrochloride
X1IEG24OHL
NCGC00089748-06
63-92-3
Dibenzylin
N-2-Phenoxyisopropyl-N-benzyl-beta-chloroethylamine hydrochloride
EN300-52514
Phenoxybenzamine Hydrochloride, Pharmaceutical Secondary Standard; Certified Reference Material
BENSYLYTE HYDROCHLORIDE
DTXCID701127
NCGC00093699-03
B-019
NSC-37448

MDL Number

MFCD00055152

Customs Code

2922299090

FAQ

What are the physical and chemical properties of N-Benzyl-N-(2-chloroethyl)-1-phenoxy-2-propanamine hydrochloride (CAS: 63-92-3)?

N-Benzyl-N-(2-chloroethyl)-1-phenoxy-2-propanamine hydrochloride is a white crystalline solid with a molecular weight of approximately 369.95 g/mol. It is slightly soluble in water and ethanol. The compound is known for its reactivity in nucleophilic substitution reactions and is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight. Its solubility and reactivity make it suitable for use in various chemical processes.

How is N-Benzyl-N-(2-chloroethyl)-1-phenoxy-2-propanamine hydrochloride (CAS: 63-92-3) typically synthesized?

N-Benzyl-N-(2-chloroethyl)-1-phenoxy-2-propanamine hydrochloride is typically synthesized through a multi-step process involving the reaction of phenoxyacetic acid, benzylamine, and 2-chloroethanol. The process involves esterification, amidation, and substitution reactions. The reaction is catalyzed by an acid or base, and the final step involves the protonation of the amine to form the hydrochloride salt. The yield is typically around 75-85%, with high selectivity towards the target product.

What industries use N-Benzyl-N-(2-chloroethyl)-1-phenoxy-2-propanamine hydrochloride (CAS: 63-92-3)?

N-Benzyl-N-(2-chloroethyl)-1-phenoxy-2-propanamine hydrochloride is used in the pharmaceutical industry for the synthesis of certain drugs due to its reactivity and stability. It is also employed in the polymer industry for the modification of polymers and in the production of sensors and semiconductors. Its specific applications include the preparation of bioactive compounds, drug intermediates, and functional materials.

What precautions should be taken when handling N-Benzyl-N-(2-chloroethyl)-1-phenoxy-2-propanamine hydrochloride (CAS: 63-92-3)?

When handling N-Benzyl-N-(2-chloroethyl)-1-phenoxy-2-propanamine hydrochloride, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood to minimize exposure to its vapors. Spills should be cleaned up using appropriate tools and materials, and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.