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1026230-99-8 | Benzeneethanol, β-amino-3-methyl-, (βS)-
CAS No: 1026230-99-8 Catalog No: AG0007YB MDL No:MFCD12758125
Product Description
Catalog Number:
AG0007YB
Chemical Name:
Benzeneethanol, β-amino-3-methyl-, (βS)-
CAS Number:
1026230-99-8
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
MDL Number:
MFCD12758125
IUPAC Name:
(2S)-2-amino-2-(3-methylphenyl)ethanol
InChI:
InChI=1S/C9H13NO/c1-7-3-2-4-8(5-7)9(10)6-11/h2-5,9,11H,6,10H2,1H3/t9-/m1/s1
InChI Key:
RJJLTGSKFNJQCZ-SECBINFHSA-N
SMILES:
OC[C@H](c1cccc(c1)C)N
Properties
Complexity:
116
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:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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