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2059974-85-3

2059974-85-3 | 1-(1-ethyl-1H-pyrazol-4-yl)-2,7-diazaspiro[3.5]nonane

CAS No: 2059974-85-3 Catalog No: AG01BQFH MDL No:MFCD30501384

Product Description

Catalog Number:
AG01BQFH
Chemical Name:
1-(1-ethyl-1H-pyrazol-4-yl)-2,7-diazaspiro[3.5]nonane
CAS Number:
2059974-85-3
Molecular Formula:
C12H20N4
Molecular Weight:
220.3140
MDL Number:
MFCD30501384
IUPAC Name:
3-(1-ethylpyrazol-4-yl)-2,7-diazaspiro[3.5]nonane
InChI:
InChI=1S/C12H20N4/c1-2-16-8-10(7-15-16)11-12(9-14-11)3-5-13-6-4-12/h7-8,11,13-14H,2-6,9H2,1H3
InChI Key:
RQLBCZIOYZDJTJ-UHFFFAOYSA-N
SMILES:
CCn1ncc(c1)C1NCC21CCNCC2

Properties

Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.169g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
220.32g/mol
Monoisotopic Mass:
220.169g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  

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