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Home > Aldehydes > 133746-66-4
133746-66-4 | 1H-Imidazole-4-carboxaldehyde,2-amino-(9CI)
CAS No: 133746-66-4 Catalog No: AG00AHGW MDL No:MFCD10696684
Product Description
Catalog Number:
AG00AHGW
Chemical Name:
1H-Imidazole-4-carboxaldehyde,2-amino-(9CI)
CAS Number:
133746-66-4
Molecular Formula:
C4H5N3O
Molecular Weight:
111.1020
MDL Number:
MFCD10696684
IUPAC Name:
2-amino-1H-imidazole-5-carbaldehyde
InChI:
InChI=1S/C4H5N3O/c5-4-6-1-3(2-8)7-4/h1-2H,(H3,5,6,7)
InChI Key:
LGLCNXSABZEOSM-UHFFFAOYSA-N
SMILES:
Nc1ncc([nH]1)C=O
Properties
Complexity:
95.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.043g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
111.104g/mol
Monoisotopic Mass:
111.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Literature
| Title | Journal |
|---|---|
| A submarine journey: the pyrrole-imidazole alkaloids. | Marine drugs 20091201 |
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