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Home> Hot Product Listed T   > T6486451
479-59-4 structure

T6486451

CAS No.:479-59-4
Molecular Weight:173.259
Molecular Formula:C20H23N3O3 (isomer)
Names and Identifiers
Synonyms

1-(azepan-1-yl)-2-{4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl}ethan-1-one 1-(azepan-1-yl)-2-{4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl}ethanone BG01106957 MCULE-2614727242 MOLPORT-009-422-583 Z197661962 ZINC40018257

Inchi
InChI=1S/C12H15N/c1-4-10-6-2-8-13-9-3-7-11(5-1)12(10)13/h1,4-5H,2-3,6-9H2
InChkey
DZFWNZJKBJOGFQ-UHFFFAOYSA-N
Canonical Smiles
C1CC2=C3C(=CC=C2)CCCN3C1
Properties
Melting Point
34-36℃
Vapour
0.000554mmHg at 25°C
Refractive Index
1.568 (25 C)
HS Code
29339900
Safety and Handling
Risk Statements
52/53
Safety Statements
S24/25
Transport
HAZARD
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 479-59-4 EC: T6486451 ·ECHA C&L Inventory for CAS: CAS: 479-59-4 EC: T6486451
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Germ cell mutagenicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H341 Suspected of causing genetic defects

Precautionary statement(s)
Prevention

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

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

Response

P308+P313 IF exposed or concerned: Get medical advice/ attention.

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:173.259g/mol
  • Molecular Formula:C20H23N3O3
  • Compound Is Canonicalized:True
  • Exact Mass:173.12
  • Monoisotopic Mass:173.12
  • Complexity:172
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:3.2A^2
  • Heavy Atom Count:13
  • 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: AAADccByAAAAAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAACxAAAAHAAAAAAADAjBGAQwwIMAAACA AiRCQACCAAAhAAAIiAAIRIgIICLAkZGEIAhggADIyAcQgMAOAAACAAACAAAAAAQAAAQAAAAAAAAA AA==
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