Home Carboxys piperidin-2-ylmethyl azepane-1-carboxylate hydrochloride

piperidin-2-ylmethyl azepane-1-carboxylate hydrochloride

CAS No.:
1803572-43-1
Catalog Number:
AG01BATD
Molecular Formula:
C13H25ClN2O2
Molecular Weight:
276.8028
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Product Description
Catalog Number:
AG01BATD
Chemical Name:
piperidin-2-ylmethyl azepane-1-carboxylate hydrochloride
CAS Number:
1803572-43-1
Molecular Formula:
C13H25ClN2O2
Molecular Weight:
276.8028
MDL Number:
MFCD28397744
IUPAC Name:
piperidin-2-ylmethyl azepane-1-carboxylate;hydrochloride
InChI:
InChI=1S/C13H24N2O2.ClH/c16-13(15-9-5-1-2-6-10-15)17-11-12-7-3-4-8-14-12;/h12,14H,1-11H2;1H
InChI Key:
XZDQCZJCIZSORO-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCCC1)OCC1CCCCN1.Cl
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.16g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
276.805g/mol
Monoisotopic Mass:
276.16g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties