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Home > Encyclopedia > Benzeneacetic acid, α-ethyl-, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:?)

Benzeneacetic acid, α-ethyl-, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:?)

Benzeneacetic acid, α-ethyl-, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:?) structure

Benzeneacetic acid, α-ethyl-, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:?) 

structure
  • CAS No:

    13900-12-4

  • Formula:

    C16H25NO2.xC6H8O7

  • Chemical Name:

    Benzeneacetic acid, α-ethyl-, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:?)

  • Synonyms:

    Benzeneacetic acid,α-ethyl-,2-(diethylamino)ethyl ester,2-hydroxy-1,2,3-propanetricarboxylate (1:?);Butyric acid,2-phenyl-,2-(diethylamino)ethyl ester,citrate;Benzeneacetic acid,α-ethyl-,2-(diethylamino)ethyl ester,2-hydroxy-1,2,3-propanetricarboxylate;2-Diethylaminoethyl 2-phenylbutyrate citrate;Butethamate citrate

  • Categories:

    Analytical Chemistry  >  Standard

Benzeneacetic acid, α-ethyl-, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:?) Basic Attributes

455.5

455.21600

237-671-6

11781

Characteristics

162

0.99g/cm3

110.3ºC

>68.3 [ug/mL]

Safety Information

NONH for all modes of transport

3

P264, P270, P301+P312, P330, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

butethamate citrate

Computed Properties

Molecular Weight:455.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:14
Exact Mass:455.21553163
Monoisotopic Mass:455.21553163
Topological Polar Surface Area:162
Heavy Atom Count:32
Complexity:473
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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