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2007-69-4 | 2-Propanol, 1-[(1-methylethyl)amino]-3-[(4-methyl-1-naphthalenyl)oxy]-
CAS No: 2007-69-4 Catalog No: AG002CX1 MDL No:
Product Description
Catalog Number:
AG002CX1
Chemical Name:
2-Propanol, 1-[(1-methylethyl)amino]-3-[(4-methyl-1-naphthalenyl)oxy]-
CAS Number:
2007-69-4
Molecular Formula:
C17H23NO2
Molecular Weight:
273.3700
IUPAC Name:
1-(4-methylnaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol
InChI:
InChI=1S/C17H23NO2/c1-12(2)18-10-14(19)11-20-17-9-8-13(3)15-6-4-5-7-16(15)17/h4-9,12,14,18-19H,10-11H2,1-3H3
InChI Key:
INIIAIIRDKMVMR-UHFFFAOYSA-N
SMILES:
OC(COc1ccc(c2c1cccc2)C)CNC(C)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.173g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.376g/mol
Monoisotopic Mass:
273.173g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Determination of 4-methylpropranolol in cerebrospinal fluid, serum, and urine by nonprotected fluid room-temperature phosphorescence using simplex optimization. | Analytical biochemistry 20020715 |
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