Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 2   > 2-Butanone,3-[(2-methylpropyl)nitrosoamino]-
72601-09-3 structure

2-Butanone,3-[(2-methylpropyl)nitrosoamino]-

CAS No.:72601-09-3
EINECS(EC#): 298-095-9
Molecular Weight:437.587
Molecular Formula:C25H26O3 (isomer)
Names and Identifiers
Synonyms

N-2-methylpropyl-N-1-methylacetonylnitrosamine

Inchi
InChI=1S/C29H31N3O/c1-3-9-22(10-4-1)29(23-11-5-2-6-12-23)33-18-17-31-15-16-32-21-28-26(19-24(32)20-31)25-13-7-8-14-27(25)30-28/h1-14,24,29-30H,15-21H2
InChkey
JYRRLCNLAJMXFH-UHFFFAOYSA-N
Canonical Smiles
C1CN2CC3=C(CC2CN1CCOC(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6N3
Properties
Boiling Point
265.6°C at 760 mmHg
Refractive Index
1.693
Computational chemical data
  • Molecular Weight:437.587g/mol
  • Molecular Formula:C25H26O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:4
  • Exact Mass:437.247
  • Monoisotopic Mass:437.247
  • Complexity:598
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Heavy Atom Count:33
  • 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
Recommended Suppliers
  • Tel:+0086-21-31660648
  • Fax:
 
<