Bicyclo[2.2.1]hept-5-ene-2-methylamine
Product Information
Molecular Formula
C8H13N
Molecular Weight
123.20
Description
Bicyclo[2.2.1]hept-5-ene-2-methylamine (CAS# 95-10-3) is used in the synthesis of series of analogs of riluzole series, a blocker of excitatory amino acid mediated neurotransmission.
Synonyms
2-bicyclo[2.2.1]hept-5-enylmethanamine; 2-bicyclo[2.2.1]hept-5-enylmethanamine
IUPAC Name
2-bicyclo[2.2.1]hept-5-enylmethanamine
SMILES
C1C2CC(C1C=C2)CN
InChI
InChI=1S/C8H13N/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5,9H2
InChI Key
XLBALIGLOMYEKN-UHFFFAOYSA-N
Boiling Point
186.1 °C at 760 mmHg
Flash Point
72 °C
Purity
> 98.0 % (GC) (T)
Density
0.96 g/cm3
Appearance
Colorless to light yellow clear liquid
Storage
Keep in dark place, Inert atmosphere, 2-8 °C
Refractive Index
1.50
LogP
1.85760
Safety Information
Hazards
H314:
Causes severe skin burns and eye damage.
Causes severe skin burns and eye damage.
Precautionary Statement
P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word
Danger
Computed Properties
XLogP3
1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
123.104799419 g/mol
Monoisotopic Mass
123.104799419 g/mol
Topological Polar Surface Area
26Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
140
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
3
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| JP-2022016004-A | Polar group-containing olefin copolymer | 2020-07-10 |
| JP-2020193340-A | Polar group-containing olefin copolymer | 2019-05-27 |
| WO-2020241715-A1 | Polar group-containing olefin copolymer | 2019-05-27 |
| JP-2020193341-A | Method for Producing Polar Group-Containing Olefin Polymer | 2019-05-27 |
| WO-2020116037-A1 | Polybutadiene, polybutadiene production method, polybutadiene composition, tire, and resin member | 2018-12-05 |
| EP-3590603-A1 | Interposer with first and second adhesive layers | 2018-07-03 |
| US-2020009556-A1 | Interposer with first and second adhesive layers | 2018-07-03 |
| WO-2020008316-A1 | Interposer with first and second adhesive layers | 2018-07-03 |
| AU-2019297130-A1 | Interposer with first and second adhesive layers | 2018-07-03 |
| CA-3103221-A1 | Interposer with first and second adhesive layers | 2018-07-03 |
