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164391-47-3 | Piperidine, 4-(1H-imidazol-5-ylmethyl)-, hydrobromide (1:2)
CAS No: 164391-47-3 Catalog No: AG001UUZ MDL No:MFCD06407876
Product Description
Catalog Number:
AG001UUZ
Chemical Name:
Piperidine, 4-(1H-imidazol-5-ylmethyl)-, hydrobromide (1:2)
CAS Number:
164391-47-3
Molecular Formula:
C9H17Br2N3
Molecular Weight:
327.0594
MDL Number:
MFCD06407876
IUPAC Name:
4-(1H-imidazol-5-ylmethyl)piperidine;dihydrobromide
InChI:
InChI=1S/C9H15N3.2BrH/c1-3-10-4-2-8(1)5-9-6-11-7-12-9;;/h6-8,10H,1-5H2,(H,11,12);2*1H
InChI Key:
YGNJPNRDGXJQJX-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)Cc1[nH]cnc1.Br.Br
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.977g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
327.064g/mol
Monoisotopic Mass:
324.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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