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M8-B (hydrochloride) 1mg

CAT: 0628-A22607-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0628-A22607-1Size:1 mg
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CAS Number
883976-12-3

Chemical Information

N-(2-aminoethyl)-N-(4-(benzyloxy)-3-methoxybenzyl)thiophene-2-carboxamide hydrochloride
CAS Number883976-12-3
PubChem CID69316632
IUPAC NameN-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide;hydrochloride
Molecular FormulaC22H25ClN2O3S
Molecular Weight433.0
Topological Polar Surface Area93
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity473
SMILES
COC1=C(C=CC(=C1)CN(CCN)C(=O)C2=CC=CS2)OCC3=CC=CC=C3.Cl
InChI
InChI=1S/C22H24N2O3S.ClH/c1-26-20-14-18(9-10-19(20)27-16-17-6-3-2-4-7-17)15-24(12-11-23)22(25)21-8-5-13-28-21;/h2-10,13-14H,11-12,15-16,23H2,1H3;1H
InChIKey
FMQJBHACRTZLME-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-aminoethyl)-N-(4-(benzyloxy)-3-methoxybenzyl)thiophene-2-carboxamide hydrochloride
CAS: 883976-12-3
CID: 69316632
Formula: C22H25ClN2O3S
MW: 433.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass432.1274415
Monoisotopic Mass432.1274415
Topological Polar Surface Area93 Ų
Heavy Atom Count29
Formal Charge0
Complexity473
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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