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Ranitidine Impurity 7

CAT: 1299-RM-R142033-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R142033-02Size:25 mg
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CAS Number
82301-45-9
Synonyms
1- (5- (chloromethyl) furan-2-yl) -N, N-dimethylmethanamine
Molecular Formula
C8H12ClNO
Molecular Weight
173.64
Target Alternative Name
Ranitidine
Product Name Synonym
1- (5- (chloromethyl) furan-2-yl) -N, N-dimethylmethanamine

Chemical Information

2-Furanmethanamine, 5-(chloromethyl)-N,N-dimethyl-
CAS Number82301-45-9
PubChem CID12954791
IUPAC Name1-[5-(chloromethyl)furan-2-yl]-N,N-dimethylmethanamine
Molecular FormulaC8H12ClNO
Molecular Weight173.64
XLogP1.3
Topological Polar Surface Area16.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity119
SMILES
CN(C)CC1=CC=C(O1)CCl
InChI
InChI=1S/C8H12ClNO/c1-10(2)6-8-4-3-7(5-9)11-8/h3-4H,5-6H2,1-2H3
InChIKey
IGFQHXYKPUEXIX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Furanmethanamine, 5-(chloromethyl)-N,N-dimethyl-
CAS: 82301-45-9
CID: 12954791
Formula: C8H12ClNO
MW: 173.64
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight173.64
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass173.0607417
Monoisotopic Mass173.0607417
Topological Polar Surface Area16.4 Ų
Heavy Atom Count11
Formal Charge0
Complexity119
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