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837376-36-0 | (R)-2-(3-(Diisopropylamino)-1-phenylpropyl)-4-methylphenol hydrobromide
CAS No: 837376-36-0 Catalog No: AG004SR4 MDL No:
Product Description
Catalog Number:
AG004SR4
Chemical Name:
(R)-2-(3-(Diisopropylamino)-1-phenylpropyl)-4-methylphenol hydrobromide
CAS Number:
837376-36-0
Molecular Formula:
C22H32BrNO
Molecular Weight:
406.3996
IUPAC Name:
2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol;hydrobromide
InChI:
InChI=1S/C22H31NO.BrH/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24;/h6-12,15-17,20,24H,13-14H2,1-5H3;1H/t20-;/m1./s1
InChI Key:
ZMIOHGDJVPQTCH-VEIFNGETSA-N
SMILES:
Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O.Br
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
405.167g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
406.408g/mol
Monoisotopic Mass:
405.167g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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