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Home> Hot Product Listed T   > T6477800
8002-74-2 structure

T6477800

Iupac Name:1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one
CAS No.:8002-74-2
Molecular Weight:436.84000
Molecular Formula:C27H29N5O4 (isomer)
Names and Identifiers
Synonyms

MCULE-5668997776 MOLPORT-009-266-082 n-(6-methoxy-1,3-benzothiazol-2-yl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide Z324857704 ZINC40063124

Inchi
InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
InChkey
JWHAUXFOSRPERK-UHFFFAOYSA-N
Canonical Smiles
CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O
Properties
Melting Point
47-64 ℃.
Refractive Index
n20/D 1.45
HS Code
27101999
Safety and Handling
Risk Statements
R46
Safety Statements
53-36/37/39-45
PackingGroup
II; III
Transport
无资料?
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 100000_1000000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Alpha Wax BV 2010
Amscan Europe GmbH 2017
B-Lands Consulting (811317-9) 2015
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:436.84000g/mol
  • Molecular Formula:C27H29N5O4
  • Compound Is Canonicalized:True
  • Exact Mass:341.199
  • Monoisotopic Mass:341.199
  • Complexity:368
  • Rotatable Bond Count:11
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:58.6A^2
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB6MAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQCAAADBThmAYyBoLABgCI AqBSAAACCAAkIAAIiIEOCMgPNjaENRqGOWCm8BGbqYeIyOCOAAAAAAAIAAAAAAAAABAAAAAAAAAA AA==
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