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N-Formyl Bisoprolol

CAT: 0572-TRC-F697303-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F697303-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1447715-45-8
Synonyms
N-[2-Hydroxy-3-[4-[[2-(1-methylethoxy)ethoxy]methyl]phenoxy]propyl]-N-(1-methylethyl)formamide
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
CC(C)OCCOCc1ccc(OCC(O)CN(C=O)C(C)C)cc1
Molecular Formula
C19 H31 N O5
Molecular Weight
353.45
InChI
InChI=1S/C19H31NO5/c1-15(2)20(14-21)11-18(22)13-25-19-7-5-17(6-8-19)12-23-9-10-24-16(3)4/h5-8,14-16,18,22H,9-13H2,1-4H3
Additionnal Information
IUPAC name: N-[2-hydroxy-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propyl]-N-propan-2-ylformamide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

N-(2-Hydroxy-3-(4-((2-isopropoxyethoxy)methyl)phenoxy)propyl)-N-isopropylformamide
CAS Number1447715-45-8
PubChem CID129318572
IUPAC NameN-[2-hydroxy-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propyl]-N-propan-2-ylformamide
Molecular FormulaC19H31NO5
Molecular Weight353.5
XLogP1.8
Topological Polar Surface Area68.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count25
Formal Charge0
Complexity343
SMILES
CC(C)N(CC(COC1=CC=C(C=C1)COCCOC(C)C)O)C=O
InChI
InChI=1S/C19H31NO5/c1-15(2)20(14-21)11-18(22)13-25-19-7-5-17(6-8-19)12-23-9-10-24-16(3)4/h5-8,14-16,18,22H,9-13H2,1-4H3
InChIKey
XLTMWMPSNKDLCD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-Hydroxy-3-(4-((2-isopropoxyethoxy)methyl)phenoxy)propyl)-N-isopropylformamide
CAS: 1447715-45-8
CID: 129318572
Formula: C19H31NO5
MW: 353.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.5
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass353.22022309
Monoisotopic Mass353.22022309
Topological Polar Surface Area68.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity343
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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