 Home > Encyclopedia > Neobenodine

Neobenodine

Neobenodine structure

CAS No:
4024-34-4
Formula:
C18H23NO.ClH
Chemical Name:
Neobenodine
Synonyms:
Ethanamine,N,N-dimethyl-2-[(4-methylphenyl)phenylmethoxy]-,hydrochloride (1:1);Ethylamine,N,N-dimethyl-2-[(p-methyl-α-phenylbenzyl)oxy]-,hydrochloride;Ethanamine,N,N-dimethyl-2-[(4-methylphenyl)phenyl methoxy]-,hydrochloride;Neobenodine;4-Methyldiphenhydramine hydrochloride;2-[(p-Methyl-α-phenylbenzyl)oxy]ethyl(dimethyl)ammonium chloride
Categories:
Organic Chemistry > Amides

Request for Quotation

Neobenodine Basic Attributes

Molecular Weight：

305.84200

Exact Mass：

305.15500

EC Number：

223-691-2

Characteristics

PSA：

12.47000

XLogP3：

4.46460

Melting Point：

150-152 °C @ Solvent: Acetone

Boiling Point：

362.5ºC at 760mmHg

Flash Point：

107ºC

Safety Information

Transport codes：

NONH for all modes of transport

RTECS Number：

KR6706600

Precautionary statement(s)：

P301 + P312 + P330

Hazard Statements：

H302

Drug Information

MeSH Entry Terms：

neobenodine

Computed Properties

Molecular Weight:305.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:305.1546421
Monoisotopic Mass:305.1546421
Topological Polar Surface Area:13.7
Heavy Atom Count:21
Complexity:252
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes