Home Other Building Blocks 1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1,4-diazepane

1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1,4-diazepane

CAS No.:
1152965-12-2
Catalog Number:
AG01ABBK
Molecular Formula:
C10H18N4
Molecular Weight:
194.2767
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Product Description
Catalog Number:
AG01ABBK
Chemical Name:
1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1,4-diazepane
CAS Number:
1152965-12-2
Molecular Formula:
C10H18N4
Molecular Weight:
194.2767
MDL Number:
MFCD11170995
IUPAC Name:
1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane
InChI:
InChI=1S/C10H18N4/c1-13-8-10(7-12-13)9-14-5-2-3-11-4-6-14/h7-8,11H,2-6,9H2,1H3
InChI Key:
ZLFRDOPNEXBERC-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)CN1CCNCCC1
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.153g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.282g/mol
Monoisotopic Mass:
194.153g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties