Basic information
- CAS
135009-57-3- Standard SMILES
CCCCn1cc([N+](=O)[O-])nc1C- InChIKey
QZJVHLRSLFVNTO-UHFFFAOYSA-N- Molecular formula
- C8H13N3O2
- Average molar mass
- 183.21 g/mol
- Monoisotopic mass
- 183.10077667
Names & identifiers
- Preferred name
- 1-Butyl-2-methyl-4-nitro-1H-imidazole
- IUPAC
- 1-butyl-2-methyl-4-nitroimidazole
- English name
- 1-N-BUTYL-2-METHYL-4-NITROIMIDAZOLE
- Molecular formula
- C8H13N3O2
- Molecular weight
- 183.21
Names & synonyms
135009-57-31-butyl-2-methyl-4-nitro-1H-imidazoleDTXSID60384252RefChem:229046DTXCID303352761-N-butyl-2-methyl-4-nitroimidazole1-butyl-2-methyl-4-nitroimidazoleMLS000851086CHEMBL95635SCHEMBL14181603HMS2791O161-butyl-2-methyl-4-nitro-imidazole
Show more names
1-n-Butyl-2-methyl-4-nitroimidanzole1H-Imidazole, 1-butyl-2-methyl-4-nitro-
AKOS022181035AS-77619SMR000457329DB-042261CS-0337696ST50407473F733998
Database identifiers
- CAS
135009-57-3- PubChem CID
- 2801466
- DTXSID
DTXSID60384252- ChEMBL
CHEMBL95635- Nikkaji
- J2.016.675D
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- CAS DataBase Reference
- 135009 · 135009-57-3
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 36/37/38
- safety_code
- 26-36
Chemistry & industry
Suppliers7 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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