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Home> Encyclopedia > Hot Product Listed 2   > 2-Propanone,3-(diethylamino)-1-hydroxy-1,1-diphenyl-
92-54-6 structure

2-Propanone,3-(diethylamino)-1-hydroxy-1,1-diphenyl-

Iupac Name:1-phenylpiperazine
CAS No.:92-54-6
Molecular Weight:162.236
Molecular Formula:C25H33CL2NO6 (isomer)
Names and Identifiers
Synonyms

2-propanone, 3-diethylamino-1,1-diphenyl-1-hydroxy- 3-(Diethylamino)-1-hydroxy-1,1-diphenyl-2-propanone 3-(diethylamino)-1-hydroxy-1,1-diphenylpropan-2-one 3-diethylamino-1,1-diphenyl-1-hydroxyacetone AC1L4TKW AC1Q5C5M acm24860795 brn 2750096 CTK1A2052 DTXSID30179571 LS-122851 OR065347 OR247645 ZINC3613449

Inchi
InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2
InChkey
YZTJYBJCZXZGCT-UHFFFAOYSA-N
Canonical Smiles
C1CN(CCN1)C2=CC=CC=C2
Properties
Density
1.339
Melting Point
18.8℃
Boiling Point
372.3°C at 760 mmHg
Refractive Index
1.5865-1.5885
Flash Point
386°C
HS Code
29335995
Safety and Handling
Risk Statements
R22;R24;R34
Safety Statements
S26;S28;S36/37/39;S45
HazardClass
6.1
Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 360mg/kg (360mg/kg)   Russian Pharmacology and Toxicology Vol. 32, Pg. 311, 1969.

PackingGroup
II
Transport
UN 2922
Specification

  2-Propanone, 3-diethylamino-1,1-diphenyl-1-hydroxy- (CAS NO.24860-79-5), its Synonyms are 3-(Diethylamino)-1-hydroxy-1,1-diphenyl-2-propanone ; 3-Diethylamino-1,1-diphenyl-1-hydroxyacetone .

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Acute toxicity - Dermal, Category 3

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H311 Toxic in contact with skin

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:162.236g/mol
  • Molecular Formula:C25H33CL2NO6
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.1
  • Exact Mass:162.116
  • Monoisotopic Mass:162.116
  • Complexity:124
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:15.3A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzAAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHAAQAAAACAjBEAQwwIPAAACA ACRCQACCAAAhAgAIiIAIZIgIYCLAkZGUIAhgkADIyAcQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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  • Fax:86-571-88938652
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