Basic information
- CAS
39928-74-0- Standard SMILES
Cn1c(C=O)cnc1[N+](=O)[O-]- InChIKey
PTLILCRCEWAQGA-UHFFFAOYSA-N- Molecular formula
- C5H5N3O3
- Average molar mass
- 155.11 g/mol
- Monoisotopic mass
- 155.03309102
Names & identifiers
- Preferred name
- 1-Methyl-2-nitro-1H-imidazole-5-carboxaldehyde
- IUPAC
- 3-methyl-2-nitroimidazole-4-carbaldehyde
- English name
- 1-Methyl-2-nitro-1H-imidazole-5-carbaldehyde
- Molecular formula
- C5H5N3O3
- Molecular weight
- 155.11
Names & synonyms
39928-74-0Imidazole-5-carboxaldehyde, 1-methyl-2-nitro-DTXSID601929751-methyl-2-nitro-1H-Imidazole-5-carboxaldehydeRefChem:1055760DTXCID001154661-methyl-2-nitro-1H-imidazole-5-carbaldehyde3-methyl-2-nitroimidazole-4-carbaldehydeSR-2525VJ56Z8E3S5L-8711NSC-294741
Show more names
1H-Imidazole-5-carboxaldehyde, 1-methyl-2-nitro-
L 8711NSC 294741BRN 07444881-Methyl-2-nitro-imidazole-5-carboxaldehydeUNII-VJ56Z8E3S55-24-02-00096 (Beilstein Handbook Reference)CHEMBL3247250SCHEMBL11669063
Database identifiers
- CAS
39928-74-0- PubChem CID
- 100390
- DTXSID
DTXSID60192975- ChEMBL
CHEMBL3247250- UNII
- VJ56Z8E3S5
- Nikkaji
- J86.805A
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 178
Experimental & physicochemical properties
LogP-0.1
Physicochemical properties
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Appearance
- Off-white to light yellow Solid
- FDA UNII
- 56 Z8E3S5 · VJ56Z8E3S5
Chemistry & industry
Suppliers5 total
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
苏州键合化学试剂有限公司0512-69561983 13914027025 · [email protected]
苏州美诺医药科技有限公司0512-69561983 13914027025 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
32 records
Compound notes
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