Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed P   > PB370538536
160357-88-0 structure

PB370538536

Iupac Name:1-(pyridin-3-ylmethyl)piperidin-4-amine
CAS No.:160357-88-0
Molecular Weight:191.278
Molecular Formula:C14H25N3O (isomer)
Names and Identifiers
Synonyms

2-[(2,5-dioxoimidazolidin-1-yl)methyl]-n-[3-methyl-2-(morpholin-4-yl)butyl]benzamide MCULE-5616816182 MOLPORT-019-646-956 Z246044724

Inchi
InChI=1S/C11H17N3/c12-11-3-6-14(7-4-11)9-10-2-1-5-13-8-10/h1-2,5,8,11H,3-4,6-7,9,12H2
InChkey
MSXJQLZTWITCEC-UHFFFAOYSA-N
Canonical Smiles
C1CN(CCC1N)CC2=CN=CC=C2
Properties
Vapour
0.000842mmHg at 25°C
Refractive Index
1.563
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:191.278g/mol
  • Molecular Formula:C14H25N3O
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.2
  • Exact Mass:191.142
  • Monoisotopic Mass:191.142
  • Complexity:164
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:42.2A^2
  • Heavy Atom Count:14
  • 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: AAADceBzAAAAAAAAAAAAAAAAAAAAAAAAAAAsWAAAAAAAAAABgAAAHAAQAAAADCjBGgQ8gJNIEACg AjBnRACCgCAxAiAI2KA4ZJgIIOLA0ZGEIAhgkADIyAYQAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-21-60542966
  • Fax:86-21-61916468
Recommended Suppliers
  • Tel:86-21-60542966
  • Fax:86-21-61916468
 
<