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P-707

CAT: 0013-GTR19193206-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193206-01Size:25 mg
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Description
P-707
CAS Number
61064-70-8
Smiles
CCN (CC) CCOc1c (C) cc (cc1C) C (Cc1ccc (OC) cc1) c1ccccc1
Molecular Formula
C29H37NO2
Molecular Weight
431.62
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

P 707

structure

CAS Number61064-70-8
PubChem CID191583
IUPAC NameN,N-diethyl-2-[4-[2-(4-methoxyphenyl)-1-phenylethyl]-2,6-dimethylphenoxy]ethanamine
Molecular FormulaC29H37NO2
Molecular Weight431.6
XLogP7
Topological Polar Surface Area21.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Heavy Atom Count32
Formal Charge0
Complexity481
SMILES
CCN(CC)CCOC1=C(C=C(C=C1C)C(CC2=CC=C(C=C2)OC)C3=CC=CC=C3)C
InChI
InChI=1S/C29H37NO2/c1-6-30(7-2)17-18-32-29-22(3)19-26(20-23(29)4)28(25-11-9-8-10-12-25)21-24-13-15-27(31-5)16-14-24/h8-16,19-20,28H,6-7,17-18,21H2,1-5H3
InChIKey
ARUSYLDHPBMLNO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of P 707
CAS: 61064-70-8
CID: 191583
Formula: C29H37NO2
MW: 431.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.6
XLogP37
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Exact Mass431.282429423
Monoisotopic Mass431.282429423
Topological Polar Surface Area21.7 Ų
Heavy Atom Count32
Formal Charge0
Complexity481
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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