Home Carboxys 4,7-Diaza-spiro[2.5]octane-7-carboxylic acid benzyl ester, HCl salt

4,7-Diaza-spiro[2.5]octane-7-carboxylic acid benzyl ester, HCl salt

CAS No.:
1630807-17-8
Catalog Number:
AG00ATFQ
Molecular Formula:
C14H19ClN2O2
Molecular Weight:
282.7659
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Product Description
Catalog Number:
AG00ATFQ
Chemical Name:
4,7-Diaza-spiro[2.5]octane-7-carboxylic acid benzyl ester, HCl salt
CAS Number:
1630807-17-8
Molecular Formula:
C14H19ClN2O2
Molecular Weight:
282.7659
MDL Number:
MFCD29077665
IUPAC Name:
benzyl 4,7-diazaspiro[2.5]octane-7-carboxylate;hydrochloride
InChI:
InChI=1S/C14H18N2O2.ClH/c17-13(18-10-12-4-2-1-3-5-12)16-9-8-15-14(11-16)6-7-14;/h1-5,15H,6-11H2;1H
InChI Key:
BIEORKAUAONTHC-UHFFFAOYSA-N
SMILES:
O=C(N1CCNC2(C1)CC2)OCc1ccccc1.Cl
Properties
Complexity:
309  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.114g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
282.768g/mol
Monoisotopic Mass:
282.114g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties