Basic information
- CAS
3123-13-5- Standard SMILES
CC(=O)NC(CO)C(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
MXTCOGZRSFDQTK-UHFFFAOYSA-N- Molecular formula
- C11H12N2O5
- Average molar mass
- 252.22 g/mol
- Monoisotopic mass
- 252.07462149
Overview
inhibitory agent for the differentiation of mammalian tuberculosis strains from other Mycobacteria
Names & identifiers
- Preferred name
- N-(1-(hydroxymethyl)-2-(4-nitrophenyl)-2-oxoethyl)acetamide
- IUPAC
- N-[3-hydroxy-1-(4-nitrophenyl)-1-oxopropan-2-yl]acetamide
- English name
- N-[1-(hydroxymethyl)-2-(4-nitrophenyl)-2-oxoethyl]acetamide
- Molecular formula
- C11H12N2O5
- Molecular weight
- 252.22
Names & synonyms
3123-13-5N-[1-(hydroxymethyl)-2-(4-nitrophenyl)-2-oxoethyl]acetamideDTXSID701188311p-nitro-alpha-acetylamino-beta-hydroxypropiophenone4-Nitro-alpha-acetylamino-beta-hydroxypropiophenoneN-(1-(Hydroxymethyl)-2-(4-nitrophenyl)-2-oxoethyl)acetamideAcetamide, N-(1-(hydroxymethyl)-2-(4-nitrophenyl)-2-oxoethyl)-Acetamide, N-[1-(hydroxymethyl)-2-(4-nitrophenyl)-2-oxoethyl]-RefChem:100028DTXCID301619596221-503-3N-[3-hydroxy-1-(4-nitrophenyl)-1-oxopropan-2-yl]acetamide
Show more names
2-Acetamido-3-hydroxy-4''-nitroacetophenoneα-Acetylamino-β-hydroxy-4'-nitropropiophenone4'-Nitro-α-(acetylamino)-β-hydroxypropiophenoneA-(Acetamido)-B-(Hydroxyethyl)-P-NitriphenylketoneN-[2-keto-1-methylol-2-(4-nitrophenyl)ethyl]acetamideALPHA-(ACETAMIDO)-BETA-(HYDROXYETHYL)-P-NITROPHENYLKETONEN-[3-hydroxy-1-(4-nitrophenyl)-1-oxo-propan-2-yl]ethanamide
MFCD00510111N-(3-Hydroxy-1-(4-nitrophenyl)-1-oxopropan-2-yl)acetamideMaybridge1_002031EINECS 221-503-3NSC 48739NSC 60236NSC 63858Cambridge id 5110246
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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