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Home> Hot Product Listed M   > MCULE-2973775632
3572-52-9 structure

MCULE-2973775632

Iupac Name:2-(diethylamino)ethyl 2-hydroxy-3-phenylbenzoate
CAS No.:3572-52-9
Molecular Weight:313.395
Molecular Formula:C19H23N3O3 (isomer)
Names and Identifiers
Synonyms

2-[4-({[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]amino}methyl)-3,5-dimethyl-1h-pyrazol-1-yl]ethan-1-ol MOLPORT-028-836-665 Z840109160 ZINC95955445

Inchi
InChI=1S/C19H23NO3/c1-3-20(4-2)13-14-23-19(22)17-12-8-11-16(18(17)21)15-9-6-5-7-10-15/h5-12,21H,3-4,13-14H2,1-2H3
InChkey
HLDCSYXMVXILQC-UHFFFAOYSA-N
Canonical Smiles
CCN(CC)CCOC(=O)C1=CC=CC(=C1O)C2=CC=CC=C2
Properties
Refractive Index
1.564
Safety and Handling
Risk Statements
R25;R36/37/38
Safety Statements
S26;S28;S37/39;S45
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 3572-52-9 EC: MCULE-2973775632 ·ECHA C&L Inventory for CAS: CAS: 3572-52-9 EC: MCULE-2973775632
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:313.395g/mol
  • Molecular Formula:C19H23N3O3
  • Compound Is Canonicalized:True
  • Exact Mass:313.168
  • Monoisotopic Mass:313.168
  • Complexity:351
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:49.8A^2
  • Heavy Atom Count:23
  • 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: AAADceB6MAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAACAAADAThmAYyDoMABgCI AiDSCAACAAAkIAAIiAEMCMgKJzaCNRqDcUAl4BGYuYeIyPCOgAACAAAIAAAAAAQAABAAAAAAAAAA AA==
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