Home Nitriles 8-amino-1,4-dioxaspiro[4.5]decane-8-carbonitrile

8-amino-1,4-dioxaspiro[4.5]decane-8-carbonitrile

CAS No.:
54621-16-8
Catalog Number:
AG00DMZA
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
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Product Description
Catalog Number:
AG00DMZA
Chemical Name:
8-amino-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CAS Number:
54621-16-8
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
MDL Number:
MFCD09736218
IUPAC Name:
8-amino-1,4-dioxaspiro[4.5]decane-8-carbonitrile
InChI:
InChI=1S/C9H14N2O2/c10-7-8(11)1-3-9(4-2-8)12-5-6-13-9/h1-6,11H2
InChI Key:
DCOVNWPDKUEWDM-UHFFFAOYSA-N
SMILES:
N#CC1(N)CCC2(CC1)OCCO2
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.106g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties