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2001306-27-8 | 5-ethyl-3',5',6',7'-tetrahydrospiro[cyclopentane-1,4'-imidazo[4,5-c]pyridine]
CAS No: 2001306-27-8 Catalog No: AG01BXZJ MDL No:MFCD30486471
Product Description
Catalog Number:
AG01BXZJ
Chemical Name:
5-ethyl-3',5',6',7'-tetrahydrospiro[cyclopentane-1,4'-imidazo[4,5-c]pyridine]
CAS Number:
2001306-27-8
Molecular Formula:
C12H19N3
Molecular Weight:
205.2994
MDL Number:
MFCD30486471
IUPAC Name:
2'-ethylspiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,1'-cyclopentane]
InChI:
InChI=1S/C12H19N3/c1-2-9-4-3-6-12(9)11-10(5-7-15-12)13-8-14-11/h8-9,15H,2-7H2,1H3,(H,13,14)
InChI Key:
JPFOEJYCROBLMV-UHFFFAOYSA-N
SMILES:
CCC1CCCC21NCCc1c2[nH]cn1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.158g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.305g/mol
Monoisotopic Mass:
205.158g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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