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Urapidil Impurity 28 HCl

CAT: 1596-AR-U01348-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-U01348-01Size:10 Units
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CAS Number
1081534-21-5
Molecular Formula
C6H13Cl2N. HCl
Molecular Weight
170.08 36.46
API Name
Urapidil

Chemical Information

Bis(3-chloropropyl)amine hydrochloride
CAS Number1081534-21-5
PubChem CID24191953
IUPAC Name3-chloro-N-(3-chloropropyl)propan-1-amine;hydrochloride
Molecular FormulaC6H14Cl3N
Molecular Weight206.5
Topological Polar Surface Area12
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Heavy Atom Count10
Formal Charge0
Complexity44
SMILES
C(CNCCCCl)CCl.Cl
InChI
InChI=1S/C6H13Cl2N.ClH/c7-3-1-5-9-6-2-4-8;/h9H,1-6H2;1H
InChIKey
MRDUJWJHJIMYDL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bis(3-chloropropyl)amine hydrochloride
CAS: 1081534-21-5
CID: 24191953
Formula: C6H14Cl3N
MW: 206.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight206.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass205.019183
Monoisotopic Mass205.019183
Topological Polar Surface Area12 Ų
Heavy Atom Count10
Formal Charge0
Complexity44.3
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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