Basic information
- CAS
15376-53-1- Standard SMILES
CC(=O)NC(CO)C(O)c1ccc([N+](=O)[O-])cc1- InChIKey
PIVQDUYOEIAFDM-UHFFFAOYSA-N- Molecular formula
- C11H14N2O5
- Average molar mass
- 254.24 g/mol
- Monoisotopic mass
- 254.09027155
Overview
Corynecin I is a C-nitro compound.
Names & identifiers
- Preferred name
- N-Acetyl-4-nitrophenylserinol
- IUPAC
- N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
- English name
- N-acetyl-4-nitrophenylserinol
- Molecular formula
- C11H14N2O5
- Molecular weight
- 254.24
Names & synonyms
N-Acetyl-4-nitrophenylserinol15376-53-1n-acetyl-p-nitrophenylserinolRefChem:162554n-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide4618-99-9N-(1,3-Dihydroxy-1-(4-nitrophenyl)propan-2-yl)acetamideNSC-48738NSC 48738NCIOpen2_002798Oprea1_779552CBDivE_000863
Show more names
Corynecin iAcetamide, N-(2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)-
CHEMBL280196SCHEMBL8121625GNF-PF-3018DTXSID70864590CHEBI:201511D,L-2-ACETAMIDO-1-(4-NITROPHENYL)-1,3-PROPANEDIOLNSC48738AKOS023249379
Database identifiers
- CAS
15376-53-1、4618-99-9- PubChem CID
- 4335
- DTXSID
DTXSID70864590- ChEMBL
CHEMBL280196- ChEBI
CHEBI:201511- EC Number
- 225-030-3、633-869-5
- Nikkaji
- J601.455K
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 296
Experimental & physicochemical properties
LogP-0.03
Physicochemical properties
- Melting point
- 166.5 · 166.5-168.5 °C
- Boiling point
- 572.644 · 572.644±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.369 · 1.369±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.683 · 12.683±0.20(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesCorynecin I is a chloramphenicol-like acyl nitrophenylpropylamine.
Suppliers1 total
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
1 records
Compound notes
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