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114133-37-8 | Benzenemethanol, α-[2-(methylamino)ethyl]-, (αS)-
CAS No: 114133-37-8 Catalog No: AG000AMU MDL No:
Product Description
Catalog Number:
AG000AMU
Chemical Name:
Benzenemethanol, α-[2-(methylamino)ethyl]-, (αS)-
CAS Number:
114133-37-8
Molecular Formula:
C10H15NO
Molecular Weight:
165.2322
IUPAC Name:
(1S)-3-(methylamino)-1-phenylpropan-1-ol
InChI:
InChI=1S/C10H15NO/c1-11-8-7-10(12)9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3/t10-/m0/s1
InChI Key:
XXSDCGNHLFVSET-JTQLQIEISA-N
SMILES:
CNCC[C@@H](c1ccccc1)O
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
165.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.236g/mol
Monoisotopic Mass:
165.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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