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5790-40-9 | 1-(5-methyl-2-propan-2-yl-phenoxy)-3-(propan-2-ylamino)propan-2-ol hydrochloride
CAS No: 5790-40-9 Catalog No: AG01FM7Z MDL No:MFCD01222276
Product Description
Catalog Number:
AG01FM7Z
Chemical Name:
1-(5-methyl-2-propan-2-yl-phenoxy)-3-(propan-2-ylamino)propan-2-ol hydrochloride
CAS Number:
5790-40-9
Molecular Formula:
C16H28ClNO2
Molecular Weight:
301.8520
MDL Number:
MFCD01222276
IUPAC Name:
1-(5-methyl-2-propan-2-ylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
InChI:
InChI=1S/C16H27NO2.ClH/c1-11(2)15-7-6-13(5)8-16(15)19-10-14(18)9-17-12(3)4;/h6-8,11-12,14,17-18H,9-10H2,1-5H3;1H
InChI Key:
HCRQFQGEYOXNTH-UHFFFAOYSA-N
SMILES:
OC(COc1cc(C)ccc1C(C)C)CNC(C)C.Cl
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.181g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
301.855g/mol
Monoisotopic Mass:
301.181g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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