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Home> Hot Product Listed T   > T6532399
1127-45-3 structure

T6532399

Iupac Name:1-oxidoquinolin-1-ium-8-ol
CAS No.:1127-45-3
Molecular Weight:161.16
Molecular Formula:C15H19N5O3 (isomer)
Names and Identifiers
Synonyms

1-carbamoylethyl 2-(2-benzylphenoxy)acetate MCULE-2273201102 MOLPORT-009-022-733 Z19356799

Inchi
InChI=1S/C9H7NO2/c11-8-5-1-3-7-4-2-6-10(12)9(7)8/h1-6,11H
InChkey
FJKUOCCQEBLPNX-UHFFFAOYSA-N
Canonical Smiles
C1=CC2=C(C(=C1)O)[N+](=CC=C2)[O-]
Properties
Melting Point
135-140℃
Vapour
2.12E-06mmHg at 25°C
Refractive Index
1.627
Safety and Handling
Risk Statements
R50/53
Safety Statements
S22;S24/25
Transport
25kgs
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 1127-45-3 EC: T6532399 ·ECHA C&L Inventory for CAS: CAS: 1127-45-3 EC: T6532399
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:161.16g/mol
  • Molecular Formula:C15H19N5O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.4
  • Exact Mass:161.048
  • Monoisotopic Mass:161.048
  • Complexity:163
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:45.7A^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: AAADcYByMAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHgAECAAADAzBngQ8xvIYEgCg AzRnRASCgCAxYiAo2CA/bJoKJuLSkZOEcAhkwFHY2AeQwLAOAAABAAACEAAAAAIAAAQgAAAAAAAA AA==
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Recommended Suppliers
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