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1211514-14-5 | 2-(5-Propylisoxazol-3-yl)azepane hydrochloride
CAS No: 1211514-14-5 Catalog No: AG00HFXC MDL No:
Product Description
Catalog Number:
AG00HFXC
Chemical Name:
2-(5-Propylisoxazol-3-yl)azepane hydrochloride
CAS Number:
1211514-14-5
IUPAC Name:
3-(azepan-2-yl)-5-propyl-1,2-oxazole;hydrochloride
InChI:
InChI=1S/C12H20N2O.ClH/c1-2-6-10-9-12(14-15-10)11-7-4-3-5-8-13-11;/h9,11,13H,2-8H2,1H3;1H
InChI Key:
NVLKCCGPLCXGBU-UHFFFAOYSA-N
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.134g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.763g/mol
Monoisotopic Mass:
244.134g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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