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168297-77-6 | Benzeneethanol, β-amino-α,α-dimethyl-, hydrochloride (1:1), (βS)-
CAS No: 168297-77-6 Catalog No: AG001XZV MDL No:MFCD22377970
Product Description
Catalog Number:
AG001XZV
Chemical Name:
Benzeneethanol, β-amino-α,α-dimethyl-, hydrochloride (1:1), (βS)-
CAS Number:
168297-77-6
Molecular Formula:
C10H16ClNO
Molecular Weight:
201.6931
MDL Number:
MFCD22377970
IUPAC Name:
(1S)-1-amino-2-methyl-1-phenylpropan-2-ol;hydrochloride
InChI:
InChI=1S/C10H15NO.ClH/c1-10(2,12)9(11)8-6-4-3-5-7-8;/h3-7,9,12H,11H2,1-2H3;1H/t9-;/m0./s1
InChI Key:
KXLBTDXBYUFQJM-FVGYRXGTSA-N
SMILES:
N[C@H](C(O)(C)C)c1ccccc1.Cl
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
201.092g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
201.694g/mol
Monoisotopic Mass:
201.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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