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2060052-01-7 | 1-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-2-azaspiro[3.4]octane
CAS No: 2060052-01-7 Catalog No: AG01BOPY MDL No:MFCD30499433
Product Description
Catalog Number:
AG01BOPY
Chemical Name:
1-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-2-azaspiro[3.4]octane
CAS Number:
2060052-01-7
Molecular Formula:
C13H21N3O
Molecular Weight:
235.3253
MDL Number:
MFCD30499433
IUPAC Name:
3-[1-(2-methoxyethyl)imidazol-2-yl]-2-azaspiro[3.4]octane
InChI:
InChI=1S/C13H21N3O/c1-17-9-8-16-7-6-14-12(16)11-13(10-15-11)4-2-3-5-13/h6-7,11,15H,2-5,8-10H2,1H3
InChI Key:
YEBHTPBPTXDUDQ-UHFFFAOYSA-N
SMILES:
COCCn1ccnc1C1NCC21CCCC2
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.168g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.331g/mol
Monoisotopic Mass:
235.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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