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2059970-30-6 | 1-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-2-azaspiro[3.3]heptane
CAS No: 2059970-30-6 Catalog No: AG01BOPW MDL No:MFCD30499431
Product Description
Catalog Number:
AG01BOPW
Chemical Name:
1-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-2-azaspiro[3.3]heptane
CAS Number:
2059970-30-6
Molecular Formula:
C12H19N3O
Molecular Weight:
221.2988
MDL Number:
MFCD30499431
IUPAC Name:
3-[1-(2-methoxyethyl)imidazol-2-yl]-2-azaspiro[3.3]heptane
InChI:
InChI=1S/C12H19N3O/c1-16-8-7-15-6-5-13-11(15)10-12(9-14-10)3-2-4-12/h5-6,10,14H,2-4,7-9H2,1H3
InChI Key:
ZHDVJIVLJJWCPW-UHFFFAOYSA-N
SMILES:
COCCn1ccnc1C1NCC21CCC2
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.153g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.304g/mol
Monoisotopic Mass:
221.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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