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56952-17-1 | 4-methyl-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
CAS No: 56952-17-1 Catalog No: AG00VURX MDL No:
Product Description
Catalog Number:
AG00VURX
Chemical Name:
4-methyl-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
CAS Number:
56952-17-1
Molecular Formula:
C7H11N3
Molecular Weight:
137.1823
IUPAC Name:
4-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
InChI:
InChI=1S/C7H11N3/c1-5-7-6(2-3-8-5)9-4-10-7/h4-5,8H,2-3H2,1H3,(H,9,10)
InChI Key:
GJMRGFIGPFVORV-UHFFFAOYSA-N
SMILES:
CC1NCCc2c1[nH]cn2
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.095g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
137.186g/mol
Monoisotopic Mass:
137.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| Identification of 4-methylspinaceamine, a pictet-spengler condensation reaction product of histamine with acetaldehyde, in fermented foods and its metabolite in human urine. | Journal of agricultural and food chemistry 20060906 |
| Identification of 4-methylspinaceamine--a Pictet-Spengler condensation reaction product of histamine with acetaldehyde--in human urine. | Life sciences 20050128 |
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