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2,2'-(Oleylamino)diethanol

CAT: 0572-TRC-O253070-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-O253070-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13127-82-7
Synonyms
2,2'-(Oleylamino)diethanol;
Hazard Statement
No Data Available; UN number: UN1760; Packing Group: II
Purity
>95% (HPLC)
Smiles
CCCCCCCC\C=C/CCCCCCCCN(CCO)CCO
Molecular Formula
C22 H45 N O2
Molecular Weight
355.598
InChI
InChI=1S/C22H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21-24)20-22-25/h9-10,24-25H,2-8,11-22H2,1H3/b10-9-
Additionnal Information
IUPAC name: 2-[2-hydroxyethyl-[(Z)-octadec-9-enyl]amino]ethanol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

N-Oleyldiethanolamine
CAS Number13127-82-7
PubChem CID6435844
IUPAC Name2-[2-hydroxyethyl-[(Z)-octadec-9-enyl]amino]ethanol
Molecular FormulaC22H45NO2
Molecular Weight355.6
XLogP6.8
Topological Polar Surface Area43.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count20
Heavy Atom Count25
Formal Charge0
Complexity263
SMILES
CCCCCCCC/C=C\CCCCCCCCN(CCO)CCO
InChI
InChI=1S/C22H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21-24)20-22-25/h9-10,24-25H,2-8,11-22H2,1H3/b10-9-
InChIKey
BITAPBDLHJQAID-KTKRTIGZSA-N
Chemical Structure
2D Structure
2D structure of N-Oleyldiethanolamine
CAS: 13127-82-7
CID: 6435844
Formula: C22H45NO2
MW: 355.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.6
XLogP36.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count20
Exact Mass355.345029678
Monoisotopic Mass355.345029678
Topological Polar Surface Area43.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity263
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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