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151070-80-3 | Piperidine, 4-(1H-imidazol-5-ylmethyl)-1-methyl-
CAS No: 151070-80-3 Catalog No: AG001N1K MDL No:
Product Description
Catalog Number:
AG001N1K
Chemical Name:
Piperidine, 4-(1H-imidazol-5-ylmethyl)-1-methyl-
CAS Number:
151070-80-3
Molecular Formula:
C10H17N3
Molecular Weight:
179.2621
IUPAC Name:
4-(1H-imidazol-5-ylmethyl)-1-methylpiperidine;dihydrobromide
InChI:
InChI=1S/C10H17N3.2BrH/c1-13-4-2-9(3-5-13)6-10-7-11-8-12-10;;/h7-9H,2-6H2,1H3,(H,11,12);2*1H
InChI Key:
XTJPHXJFOFOXJG-UHFFFAOYSA-N
SMILES:
CN1CCC(CC1)Cc1[nH]cnc1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.993g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
341.091g/mol
Monoisotopic Mass:
338.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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