Bicyclo[2.2.1]hept-5-ene-2-methylamine

Inquiry

Molecular Formula:

C8H13N

Molecular Weight:

123.20

CAS Number:

95-10-3

Catalog Number:

95-10-3

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

Canonical 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 ℃ at 760 mmHg

Flash Point

72 ℃

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 ℃

Refractive Index

1.50

LogP

1.85760

Safety Information

Hazards

H314:
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

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

123.104799419 g/mol

Monoisotopic Mass

123.104799419 g/mol

Topological Polar Surface Area

26Å²

Heavy Atom Count

Formal Charge

Complexity

140

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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