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Erlotinib Impurity 7 HCl

CAT: 1596-AR-E01726-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-E01726-01Size:10 Units
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CAS Number
183322-17-0
Synonyms
Ethyl 2-amino-4,5-bis (2-methoxyethoxy) benzoate hydrochloride;2-Amino-4,5-bis (2-methoxyethoxy) benzoic Acid Ethyl Ester Hydrochloride
Molecular Formula
C15H23NO6. HCl
Molecular Weight
313.35 36.46
API Name
Erlotinib

Chemical Information

Benzoic acid, 2-amino-4,5-bis(2-methoxyethoxy)-, ethyl ester, hydrochloride
CAS Number183322-17-0
PubChem CID70700640
IUPAC Nameethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate;hydrochloride
Molecular FormulaC15H24ClNO6
Molecular Weight349.81
Topological Polar Surface Area89.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count23
Formal Charge0
Complexity314
SMILES
CCOC(=O)C1=CC(=C(C=C1N)OCCOC)OCCOC.Cl
InChI
InChI=1S/C15H23NO6.ClH/c1-4-20-15(17)11-9-13(21-7-5-18-2)14(10-12(11)16)22-8-6-19-3;/h9-10H,4-8,16H2,1-3H3;1H
InChIKey
CVAXGYHQKOQSDV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzoic acid, 2-amino-4,5-bis(2-methoxyethoxy)-, ethyl ester, hydrochloride
CAS: 183322-17-0
CID: 70700640
Formula: C15H24ClNO6
MW: 349.81
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight349.81
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass349.1292152
Monoisotopic Mass349.1292152
Topological Polar Surface Area89.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity314
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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