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180683-45-8 | Phenol, 2-[(1S)-1-aminoethyl]-6-methyl-
CAS No: 180683-45-8 Catalog No: AG00228L MDL No:MFCD09830196
Product Description
Catalog Number:
AG00228L
Chemical Name:
Phenol, 2-[(1S)-1-aminoethyl]-6-methyl-
CAS Number:
180683-45-8
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
MDL Number:
MFCD09830196
IUPAC Name:
2-[(1S)-1-aminoethyl]-6-methylphenol
InChI:
InChI=1S/C9H13NO/c1-6-4-3-5-8(7(2)10)9(6)11/h3-5,7,11H,10H2,1-2H3/t7-/m0/s1
InChI Key:
ASHASMPKPHWKEJ-ZETCQYMHSA-N
SMILES:
C[C@@H](c1cccc(c1O)C)N
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
151.1g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
151.209g/mol
Monoisotopic Mass:
151.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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