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Mirtazapine Impurity 26

CAT: 1299-RM-M202626-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M202626-01Size:10 mg
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CAS Number
23175-22-6
Synonyms
N-benzyl-2-chloro-N- (2-chloroethyl) -2-phenylethan-1-amine
Molecular Formula
C17H19Cl2N
Molecular Weight
308.25
Target Alternative Name
Mirtazapine
Product Name Synonym
N-benzyl-2-chloro-N- (2-chloroethyl) -2-phenylethan-1-amine

Chemical Information

N-benzyl-2-chloro-N-(2-chloroethyl)-2-phenylethan-1-amine
CAS Number23175-22-6
PubChem CID177831710
IUPAC NameN-benzyl-2-chloro-N-(2-chloroethyl)-2-phenylethanamine
Molecular FormulaC17H19Cl2N
Molecular Weight308.2
XLogP4.5
Topological Polar Surface Area3.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count7
Heavy Atom Count20
Formal Charge0
Complexity247
SMILES
C1=CC=C(C=C1)CN(CCCl)CC(C2=CC=CC=C2)Cl
InChI
InChI=1S/C17H19Cl2N/c18-11-12-20(13-15-7-3-1-4-8-15)14-17(19)16-9-5-2-6-10-16/h1-10,17H,11-14H2
InChIKey
DUSSSCJVRUCGLU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-benzyl-2-chloro-N-(2-chloroethyl)-2-phenylethan-1-amine
CAS: 23175-22-6
CID: 177831710
Formula: C17H19Cl2N
MW: 308.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.2
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count7
Exact Mass307.0894550
Monoisotopic Mass307.0894550
Topological Polar Surface Area3.2 Ų
Heavy Atom Count20
Formal Charge0
Complexity247
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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