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

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

CAS No.:
1354953-94-8
Catalog Number:
AG01ABBM
Molecular Formula:
C12H22N4
Molecular Weight:
222.3299
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Product Description
Catalog Number:
AG01ABBM
Chemical Name:
1-[(1-propyl-1H-pyrazol-4-yl)methyl]-1,4-diazepane
CAS Number:
1354953-94-8
Molecular Formula:
C12H22N4
Molecular Weight:
222.3299
MDL Number:
MFCD20233439
IUPAC Name:
1-[(1-propylpyrazol-4-yl)methyl]-1,4-diazepane
InChI:
InChI=1S/C12H22N4/c1-2-6-16-11-12(9-14-16)10-15-7-3-4-13-5-8-15/h9,11,13H,2-8,10H2,1H3
InChI Key:
HHMVPZMWMBMOQZ-UHFFFAOYSA-N
SMILES:
CCCn1ncc(c1)CN1CCNCCC1
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.184g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.336g/mol
Monoisotopic Mass:
222.184g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties