13669-70-0
Product Name:
3-Methyl-7-phenyl-6-oxa-3-azabicyclo[6.4.0]dodeca-8,10,12-triene
Formula:
C17H19NO
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 157.1 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
|---|---|
| Kovats Retention Index | 2017 |
COMPUTED DESCRIPTORS
| Molecular Weight | 253.34 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 253.146664230 g/mol |
| Monoisotopic Mass | 253.146664230 g/mol |
| Topological Polar Surface Area | 12.5 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 274 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine is a member of the class of benzoxazocines that is 3,4,5,6-tetrahydro-1H-2,5-benzoxazocine substituted by phenyl and methyl groups at positions 1 and 5 respectively. It is a benzoxazocine and a tertiary amino compound.