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Nizatidine impurity 1

CAT: 0804-HY-W077381-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W077381-01Size:100 mg
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Description
Nizatidine impurity 1 is an impurity of Nizatidine.
CAS Number
78441-69-7
UNSPSC
12352005
Hazard Statement
H315, H319, H335, H411
Target
Drug Intermediate
Related Pathways
Others
Field of Research
Others
Purity
95.0
Smiles
OCC1=CSC(CN(C)C)=N1
Molecular Formula
C7H12N2OS
Molecular Weight
172.25
Precautions
H315, H319, H335, H411
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

(2-((Dimethylamino)methyl)thiazol-4-yl)methanol
CAS Number78441-69-7
PubChem CID1838020
IUPAC Name[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanol
Molecular FormulaC7H12N2OS
Molecular Weight172.25
XLogP0
Topological Polar Surface Area64.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity121
SMILES
CN(C)CC1=NC(=CS1)CO
InChI
InChI=1S/C7H12N2OS/c1-9(2)3-7-8-6(4-10)5-11-7/h5,10H,3-4H2,1-2H3
InChIKey
BIEFSXASVIQOOS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-((Dimethylamino)methyl)thiazol-4-yl)methanol
CAS: 78441-69-7
CID: 1838020
Formula: C7H12N2OS
MW: 172.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.25
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass172.06703418
Monoisotopic Mass172.06703418
Topological Polar Surface Area64.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity121
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

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