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586-70-9 | 1-(4-Methylphenyl)ethylamine
CAS No: 586-70-9 Catalog No: AG0032IS MDL No:MFCD02177111
Product Description
Catalog Number:
AG0032IS
Chemical Name:
1-(4-Methylphenyl)ethylamine
CAS Number:
586-70-9
Molecular Formula:
C9H13N
Molecular Weight:
135.2062
MDL Number:
MFCD02177111
IUPAC Name:
1-(4-methylphenyl)ethanamine
InChI:
InChI=1S/C9H13N/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8H,10H2,1-2H3
InChI Key:
UZDDXUMOXKDXNE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(N)C
Properties
Complexity:
92.9
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:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| 1-{Phen-yl[1-(p-tol-yl)ethyl-amino]meth-yl}-2-naphthol. | Acta crystallographica. Section E, Structure reports online 20081001 |
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