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Home > Imidazoles > 91272-89-8
91272-89-8 | 1-(1H-IMIDAZOL-1-YLMETHYL)-4-METHYLPIPERAZINE
CAS No: 91272-89-8 Catalog No: AG006D7W MDL No:
Product Description
Catalog Number:
AG006D7W
Chemical Name:
1-(1H-IMIDAZOL-1-YLMETHYL)-4-METHYLPIPERAZINE
CAS Number:
91272-89-8
Molecular Formula:
C9H16N4
Molecular Weight:
180.2501
IUPAC Name:
1-(imidazol-1-ylmethyl)-4-methylpiperazine
InChI:
InChI=1S/C9H16N4/c1-11-4-6-12(7-5-11)9-13-3-2-10-8-13/h2-3,8H,4-7,9H2,1H3
InChI Key:
NFMAHGCPYPEFSP-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)Cn1cncc1
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.137g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.255g/mol
Monoisotopic Mass:
180.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
24.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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