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Home > Other Heterocycles > 2060025-71-8
2060025-71-8 | 1-(1-ethyl-1H-pyrrol-3-yl)-2,7-diazaspiro[3.5]nonane
CAS No: 2060025-71-8 Catalog No: AG01BQGB MDL No:MFCD30501414
Product Description
Catalog Number:
AG01BQGB
Chemical Name:
1-(1-ethyl-1H-pyrrol-3-yl)-2,7-diazaspiro[3.5]nonane
CAS Number:
2060025-71-8
Molecular Formula:
C13H21N3
Molecular Weight:
219.3259
MDL Number:
MFCD30501414
IUPAC Name:
3-(1-ethylpyrrol-3-yl)-2,7-diazaspiro[3.5]nonane
InChI:
InChI=1S/C13H21N3/c1-2-16-8-3-11(9-16)12-13(10-15-12)4-6-14-7-5-13/h3,8-9,12,14-15H,2,4-7,10H2,1H3
InChI Key:
QJQHGHSGBANQPV-UHFFFAOYSA-N
SMILES:
CCn1ccc(c1)C1NCC21CCNCC2
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.174g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.332g/mol
Monoisotopic Mass:
219.174g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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