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3-Methylphenethylamine

CAS No.:
55755-17-4
Catalog Number:
AG00DEDE
Molecular Formula:
C9H13N
Molecular Weight:
135.2062
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$105
- +
Product Description
Catalog Number:
AG00DEDE
Chemical Name:
3-Methylphenethylamine
CAS Number:
55755-17-4
Molecular Formula:
C9H13N
Molecular Weight:
135.2062
MDL Number:
MFCD01310828
IUPAC Name:
2-(3-methylphenyl)ethanamine
InChI:
InChI=1S/C9H13N/c1-8-3-2-4-9(7-8)5-6-10/h2-4,7H,5-6,10H2,1H3
InChI Key:
GUERDLPJJJMIEU-UHFFFAOYSA-N
SMILES:
NCCc1cccc(c1)C
Properties
Complexity:
90.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.105g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
135.21g/mol
Monoisotopic Mass:
135.105g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Structure-activity correlations for beta-phenethylamines at human trace amine receptor 1. Bioorganic & medicinal chemistry 20080801
Properties