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2-Phenylazocane hydrochloride

CAT: 0926-UND37181-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-UND37181-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2219371-81-8
MDL Number
MFCD31665951
Smiles
C1CCCC (NCC1) c1ccccc1.Cl
Molecular Formula
C13H20ClN
Molecular Weight
225.8 g/mol
Controlled
No

Chemical Information

2-Phenylazocane hydrochloride
CAS Number2219371-81-8
PubChem CID136576030
IUPAC Name2-phenylazocane;hydrochloride
Molecular FormulaC13H20ClN
Molecular Weight225.76
Topological Polar Surface Area12
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity149
SMILES
C1CCCNC(CC1)C2=CC=CC=C2.Cl
InChI
InChI=1S/C13H19N.ClH/c1-2-7-11-14-13(10-6-1)12-8-4-3-5-9-12;/h3-5,8-9,13-14H,1-2,6-7,10-11H2;1H
InChIKey
FITVWIMRTCZIQS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Phenylazocane hydrochloride
CAS: 2219371-81-8
CID: 136576030
Formula: C13H20ClN
MW: 225.76
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight225.76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass225.1284273
Monoisotopic Mass225.1284273
Topological Polar Surface Area12 Ų
Heavy Atom Count15
Formal Charge0
Complexity149
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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