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130432-39-2 | Benzenemethanol, α-[(1S)-1-amino-2-methylpropyl]-α-phenyl-, hydrochloride (1:1)
CAS No: 130432-39-2 Catalog No: AG000UFR MDL No:
Product Description
Catalog Number:
AG000UFR
Chemical Name:
Benzenemethanol, α-[(1S)-1-amino-2-methylpropyl]-α-phenyl-, hydrochloride (1:1)
CAS Number:
130432-39-2
Molecular Formula:
C17H22ClNO
Molecular Weight:
291.8157
IUPAC Name:
(2S)-2-amino-3-methyl-1,1-diphenylbutan-1-ol;hydrochloride
InChI:
InChI=1S/C17H21NO.ClH/c1-13(2)16(18)17(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15;/h3-13,16,19H,18H2,1-2H3;1H/t16-;/m0./s1
InChI Key:
SFKYWFMBUVMWNG-NTISSMGPSA-N
SMILES:
N[C@H](C(c1ccccc1)(c1ccccc1)O)C(C)C.Cl
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
291.139g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
291.819g/mol
Monoisotopic Mass:
291.139g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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