Basic information
- CAS
145192-61-6- Standard SMILES
O=C(O)CCn1cnc([N+](=O)[O-])c1- InChIKey
FZUTUMDUNFEAOS-UHFFFAOYSA-N- Molecular formula
- C6H7N3O4
- Average molar mass
- 185.14 g/mol
- Monoisotopic mass
- 185.04365571
Names & identifiers
- Preferred name
- 3-(4-nitro-1H-imidazol-1-yl)propanoic acid
- IUPAC
- 3-(4-nitroimidazol-1-yl)propanoic acid
- English name
- 3-(4-NITRO-1H-IMIDAZOL-1-YL)PROPANOIC ACID
- Molecular formula
- C6H7N3O4
- Molecular weight
- 185.14
Names & synonyms
3-(4-nitro-1H-imidazol-1-yl)propanoic acid145192-61-6RefChem:493354964-940-13-(4-nitroimidazol-1-yl)propanoic AcidAKOS008101222DB-1280293-(4-nitro-1H-imidazol-1-yl)propanoicacidCS-0244896EN300-29634G44383Z235362995
Show more names
1H-Imidazole-1-propanoic acid, 4-nitro-
Database identifiers
- CAS
145192-61-6- PubChem CID
- 10071428
- EC Number
- 964-940-1
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 214
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers5 total
Ryan Scientific, Inc.[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
ENAMINE-CHI[email protected]
UKRORGSYN-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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