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Zolmitriptan Related Compound H

CAT: 1596-AR-Z01136-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-Z01136-01Size:10 Units
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CAS Number
1116-77-4
Synonyms
4,4-diethoxy-N, N-dimethylbutan-1-amine; (4,4-Diethoxy-butyl) -dimethyl-amine; (4,4-diethoxybutyl) dimethylamine;1- (N, N-Dimethylamino) -4,4-diethoxybutane;1-Butanamine, 4,4-diethoxy-N, N-dimethyl-;1-Butanamine, 4,4-diethoxy-N, N-dimethyl-S;4,4-DIETHOXY-N, N-DIMETHYLBUTANAMINE;4,4-Diethoxy-N, N-dimethyl-butylamine;4,4-Diethoxy-N, N-dimethhyl butylamine;4,4-Diethoxy-N, N-dimethyl butylamine;4,4-Diethoxy-N, N-dimethyl-1-butanamin;4,4-Diethoxy-N, N-dimethyl-1-butanamine;4,4-Diethoxy-N, N-dimethyl-1-butylamine;4,4-Diethoxy-N, N-dimethylbutan-1-amin;4,4-Diethoxy-N, N-dimethylbutan-1-amine;4,4-Diethoxy-N, N-dimethylbutylamine;4,4-Diéthoxy-N, N-diméthyl-1-butanamine;4,4-diethoxy-N, N-dimethyl-1-But·Namine;4,4-diethoxy-N, N-dimethyl-butan-1-amine;4,4-diethoxy-n, n-dimethylbutan-1-amine (wxc01903) ;4- (Dimethylamino) butyraldehyde Diethyl Acetal;4- (N, N-Dimethylamino) Butanal Diethyl Acetal;4- (N, N-Dimethylamino) butyaldehyde diethyl acetal;4-Amino-pent-3-en-2-one;4-Dimethylaminobutanal diethyl acetal;4-Dimethylaminobutyraldehyde diethyl acetal;4-Dimethylaminobutyraldehyde diethylacetal;4-N, N-dimethylaminobutanal diethyl acetal (For Triptans) ;4-dimethylaminobutyraldehyde diethyl acetal, 97%; N, N-Dimethyl-4-aminobutanal diethyl acetal; Zolmitriptan Related Compound H
Molecular Formula
C10H23NO2
Molecular Weight
189.3
API Name
Zolmitriptan

Chemical Information

4,4-diethoxy-N,N-dimethyl-1-butanamine
CAS Number1116-77-4
PubChem CID547078
IUPAC Name4,4-diethoxy-N,N-dimethylbutan-1-amine
Molecular FormulaC10H23NO2
Molecular Weight189.30
XLogP1.6
Topological Polar Surface Area21.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count13
Formal Charge0
Complexity101
SMILES
CCOC(CCCN(C)C)OCC
InChI
InChI=1S/C10H23NO2/c1-5-12-10(13-6-2)8-7-9-11(3)4/h10H,5-9H2,1-4H3
InChIKey
QKXMWBLNSPNBEY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4-diethoxy-N,N-dimethyl-1-butanamine
CAS: 1116-77-4
CID: 547078
Formula: C10H23NO2
MW: 189.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight189.30
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass189.172878976
Monoisotopic Mass189.172878976
Topological Polar Surface Area21.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity101
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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