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2- (2,2-Diethoxyethoxy) ethanamine

CAT: 0926-BDA53471-02Size: 2.5 gDry Ice: NoHazardous: No
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CAT#:0926-BDA53471-02Size:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
76534-71-9
MDL Number
MFCD20694615
Smiles
CCOC (COCCN) OCC
Molecular Formula
C8H19NO3
Molecular Weight
177.24 g/mol
Controlled
No

Chemical Information

2-(2-Aminoethoxy)-1,1-diethoxyethane
CAS Number76534-71-9
PubChem CID12627773
IUPAC Name2-(2,2-diethoxyethoxy)ethanamine
Molecular FormulaC8H19NO3
Molecular Weight177.24
XLogP-0.3
Topological Polar Surface Area53.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count12
Formal Charge0
Complexity84
SMILES
CCOC(COCCN)OCC
InChI
InChI=1S/C8H19NO3/c1-3-11-8(12-4-2)7-10-6-5-9/h8H,3-7,9H2,1-2H3
InChIKey
LVSLKUDPYPWWCZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Aminoethoxy)-1,1-diethoxyethane
CAS: 76534-71-9
CID: 12627773
Formula: C8H19NO3
MW: 177.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight177.24
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass177.13649347
Monoisotopic Mass177.13649347
Topological Polar Surface Area53.7 Ų
Heavy Atom Count12
Formal Charge0
Complexity84.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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