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[2- (3,4-Dichlorophenoxy) butyl] (methyl) amine

CAT: 0926-YZB77508-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-YZB77508-01Size:50 mg
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CAS Number
1248775-08-7
MDL Number
MFCD16764733
Smiles
CCC (CNC) OC1=CC (=C (C=C1) Cl) Cl
Molecular Formula
C11H15Cl2NO
Molecular Weight
248.15 g/mol
Controlled
No

Chemical Information

[2-(3,4-Dichlorophenoxy)butyl](methyl)amine
CAS Number1248775-08-7
PubChem CID62484165
IUPAC Name2-(3,4-dichlorophenoxy)-N-methylbutan-1-amine
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15
XLogP3.7
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count15
Formal Charge0
Complexity180
SMILES
CCC(CNC)OC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C11H15Cl2NO/c1-3-8(7-14-2)15-9-4-5-10(12)11(13)6-9/h4-6,8,14H,3,7H2,1-2H3
InChIKey
COARTXZNHUMTTK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [2-(3,4-Dichlorophenoxy)butyl](methyl)amine
CAS: 1248775-08-7
CID: 62484165
Formula: C11H15Cl2NO
MW: 248.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.15
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass247.0530695
Monoisotopic Mass247.0530695
Topological Polar Surface Area21.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity180
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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Alternative Products

CatalogName
sc-330921N-[4- (2,4-Dichlorophenoxy) butyl]-N- (3-methoxypropyl) amine
sc-330922N-[4- (2,4-Dichlorophenoxy) butyl]-N- (4-methoxybenzyl) amine
sc-3485434-[ (2,5-dichlorophenoxy) methyl]-1,3-thiazol-2-amine
OR1042427-01(4,4-Diethoxy-butyl) -methyl-amine
sc-353123AButyl (methyl) (piperidin-4-ylmethyl) amine
OR1053913-01Tert-Butyl[ (4-methylphenyl) methyl]amine
AQ NN 0543-015-tert-butyl-N-methyl-3-phenyltriazol-4-amine
OR956970Butyl[ (2-chlorophenyl) methyl]amine
274067-014- (Diethylamino) butyl amine
OR1073030-01[ (4-Ethoxy-3-methoxyphenyl) methyl] (methyl) amine

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