CAS 198226-63-0 | 2-Naphthaleneethanamine, α,α-dimethyl- | CAS Number 198226-63-0

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198226-63-0 | 2-Naphthaleneethanamine, α,α-dimethyl-

CAS No: 198226-63-0 Catalog No: AG002BDD MDL No:MFCD11519113

Product Description

Catalog Number:

AG002BDD

Chemical Name:

2-Naphthaleneethanamine, α,α-dimethyl-

CAS Number:

198226-63-0

Molecular Formula:

C14H17N

Molecular Weight:

199.2915

MDL Number:

MFCD11519113

IUPAC Name:

2-methyl-1-naphthalen-2-ylpropan-2-amine

InChI:

InChI=1S/C14H17N/c1-14(2,15)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9H,10,15H2,1-2H3

InChI Key:

MUSKTCTZFQZRIL-UHFFFAOYSA-N

SMILES:

CC(Cc1ccc2c(c1)cccc2)(N)C

Properties

Complexity:

209

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

199.136g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

199.297g/mol

Monoisotopic Mass:

199.136g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5

Literature

Title	Journal
Allosteric modulation of the calcium-sensing receptor.	Current neuropharmacology 20070901
Discovery and structure-activity relationships of 2-benzylpyrrolidine-substituted aryloxypropanols as calcium-sensing receptor antagonists.	Bioorganic & medicinal chemistry letters 20050215