Basic information
- CAS
305851-22-3- Standard SMILES
COc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1- InChIKey
KEAKJFQOFXVQFJ-UHFFFAOYSA-N- Molecular formula
- C14H14N2O3
- Average molar mass
- 258.27 g/mol
- Monoisotopic mass
- 258.10044231
Names & identifiers
- Preferred name
- N-(4-Methoxybenzyl)-3-nitroaniline
- IUPAC
- N-[(4-methoxyphenyl)methyl]-3-nitroaniline
- English name
- N-(4-METHOXYBENZYL)-3-NITROANILINE
- Molecular formula
- C14H14N2O3
- Molecular weight
- 258.27
Names & synonyms
N-(4-Methoxybenzyl)-3-nitroaniline305851-22-3N-[(4-methoxyphenyl)methyl]-3-nitroanilineMFCD00024365CHEMBL258518SCHEMBL4600239DTXSID40388117JS-189CFMA85122SBB102016STL495465AKOS005073019
Show more names
4-METHOXY-N-(3-NITROPHENYL)-BENZENEMETHANAMINE
SB81438CS-0318154N-[(4-methoxyphenyl)methyl]-3-nitro-aniline[(4-methoxyphenyl)methyl](3-nitrophenyl)amineBenzenemethanamine, 4-methoxy-N-(3-nitrophenyl)-SR-01000302468SR-01000302468-1
Database identifiers
- CAS
305851-22-3- PubChem CID
- 2987203
- DTXSID
DTXSID40388117- ChEMBL
CHEMBL258518
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 67.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Melting point
- 98 · 98-99
- Boiling point
- 417.4 · 417.4±30.0 °C(Predicted)
- Density
- 1.257 · 1.257±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1.82 · 1.82±0.15(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2922290090 · 2922290090
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
- hs_code
- 2922290090
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers4 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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