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88805-99-6

88805-99-6 | Piperidine, 1-(3-bromo-1-methylpropyl)-, hydrobromide

CAS No: 88805-99-6 Catalog No: AG004AHD MDL No:

Product Description

Catalog Number:
AG004AHD
Chemical Name:
Piperidine, 1-(3-bromo-1-methylpropyl)-, hydrobromide
CAS Number:
88805-99-6
Molecular Formula:
C9H19Br2N
Molecular Weight:
301.0619
IUPAC Name:
1-(4-bromobutan-2-yl)piperidine;hydrobromide
InChI:
InChI=1S/C9H18BrN.BrH/c1-9(5-6-10)11-7-3-2-4-8-11;/h9H,2-8H2,1H3;1H
InChI Key:
BNIIXHRNARSHEM-UHFFFAOYSA-N
SMILES:
BrCCC(N1CCCCC1)C.Br

Properties

Complexity:
99.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.986g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
301.066g/mol
Monoisotopic Mass:
298.988g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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