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Home Other Building Blocks 2-Naphthaleneethanamine, α,α-dimethyl-

2-Naphthaleneethanamine, α,α-dimethyl-

CAS No.:
198226-63-0
Catalog Number:
AG002BDD
Molecular Formula:
C14H17N
Molecular Weight:
199.2915
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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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.136g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
199.297g/mol
Monoisotopic Mass:
199.136g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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
Properties