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DL-Ethyl-panthenol

CAT: 0572-TRC-E925940-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-E925940-10GSize:10 g
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CAS Number
667-84-5
Synonyms
N-(3-Ethoxypropyl)-2,4-dihydroxy-3,3-dimethyl-butanamide;(±)-N-(3-Ethoxypropyl)-2,4-dihydroxy-3,3-dimethyl-butanamide; (±)-N-(3-Ethoxypropyl)-2,4-dihydroxy-3,3-dimethyl-butyramide
Hazard Statement
No Data Available
Smiles
CCOCCCNC(=O)C(O)C(C)(C)CO
Molecular Formula
C11H23NO4
Molecular Weight
233.3
InChI
InChI=1S/C11H23NO4/c1-4-16-7-5-6-12-10(15)9(14)11(2,3)8-13/h9,13-14H,4-8H2,1-3H3,(H,12,15)
Additionnal Information
IUPAC name: N-(3-ethoxypropyl)-2,4-dihydroxy-3,3-dimethyl-butanamide
Shipping Conditions
Room Temperature

Chemical Information

N-(3-Ethoxypropyl)-2,4-dihydroxy-3,3-dimethylbutanamide

See also: (+)-Pantothenyl ethyl ether (annotation moved to).

CAS Number667-84-5
PubChem CID3856251
IUPAC NameN-(3-ethoxypropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
Molecular FormulaC11H23NO4
Molecular Weight233.30
XLogP0
Topological Polar Surface Area78.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count16
Formal Charge0
Complexity206
SMILES
CCOCCCNC(=O)C(C(C)(C)CO)O
InChI
InChI=1S/C11H23NO4/c1-4-16-7-5-6-12-10(15)9(14)11(2,3)8-13/h9,13-14H,4-8H2,1-3H3,(H,12,15)
InChIKey
MRAMPOPITCOOIN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-Ethoxypropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
CAS: 667-84-5
CID: 3856251
Formula: C11H23NO4
MW: 233.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight233.30
XLogP30
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass233.16270821
Monoisotopic Mass233.16270821
Topological Polar Surface Area78.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity206
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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