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Home> Hot Product Listed R   > Rubus fruticosus, ext.
184475-35-2 structure

Rubus fruticosus, ext.

Iupac Name:N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CAS No.:184475-35-2
Molecular Weight:446.907
Molecular Formula:C47H66N2O13 (isomer)
Names and Identifiers
Synonyms

BLACKBERRY FRUIT EXTRACT, BLACKBERRY LEAF EXTRACT RUBUS FRUTICOSUS (BLACKBERRY) FRUIT EXTRACT RUBUS FRUTICOSUS (BLACKBERRY) LEAF EXTRACT Rubus fruticosus extract

Inchi
InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
InChkey
XGALLCVXEZPNRQ-UHFFFAOYSA-N
Canonical Smiles
COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4
Properties
Density
1.363; d 1.379
Melting Point
119-120
Vapour
0mmHg at 25°C
Refractive Index
1.621
Safety and Handling
Safety Statements
24/25
Hazard Note
H302; H315; H319; H335
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 184475-35-2 EC: Rubus fruticosus, ext. ·ECHA C&L Inventory for CAS: CAS: 184475-35-2 EC: Rubus fruticosus, ext.
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H400 Very toxic to aquatic life

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P273 Avoid release to the environment.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:446.907g/mol
  • Molecular Formula:C47H66N2O13
  • Compound Is Canonicalized:True
  • Exact Mass:446.152
  • Monoisotopic Mass:446.152
  • Complexity:545
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:68.7A^2
  • Heavy Atom Count:31
  • 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: AAADceB7sQAEAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx9AAAHwIQAAAADA7hni439vfIFACg AyZjZACCiCkxJ6AJ2CA+7piPLuLF+9uHPCru0Bva6Cew0BMOIEABAgICQABAgAIEBASAAAAAAAAA AA==
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