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Home> Hot Product Listed P   > Piperidine, 1-(2-isocyanoethyl)-2-methyl- (9CI)
5263-87-6 structure

Piperidine, 1-(2-isocyanoethyl)-2-methyl- (9CI)

Iupac Name:6-methoxyquinoline
CAS No.:5263-87-6
Molecular Weight:159.18456
Molecular Formula:C16H30N2 (isomer)
Names and Identifiers
Synonyms

1-(2-isocyanoethyl)-2-methylpiperidine 1-(2-isocyanoethyl)-2-methyl-piperidine AC1N6JBB CTK5B1162 DTXSID70401106 HE150222

Inchi
InChI=1/C10H9NO/c1-12-9-4-5-10-8(7-9)3-2-6-11-10/h2-7H,1H3
InChkey
HFDLDPJYCIEXJP-UHFFFAOYSA-N
Canonical Smiles
COC1=CC2=C(C=C1)N=CC=C2
Properties
Melting Point
18-20℃
Refractive Index
1.617-1.624
HS Code
29334990
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S24/25
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

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:159.18456g/mol
  • Molecular Formula:C16H30N2
  • XLogP3-AA:2.2
  • Exact Mass:159.068414
  • Monoisotopic Mass:159.068414
  • Complexity:149
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:22.1
  • 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
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