Basic information
- CAS
90841-06-8- Standard SMILES
CC(C)(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O- InChIKey
TXMJURUNBSYXRI-UHFFFAOYSA-N- Molecular formula
- C10H11N3O6
- Average molar mass
- 269.21 g/mol
- Monoisotopic mass
- 269.06478507
Names & identifiers
- Preferred name
- n-(2,4-Dinitrophenyl)-2-methylalanine
- IUPAC
- 2-(2,4-dinitroanilino)-2-methylpropanoic acid
- English name
- Dnp-alpha-aminoisobutyric acid
- Molecular formula
- C10H11N3O6
- Molecular weight
- 269.21
Names & synonyms
90841-06-8n-(2,4-dinitrophenyl)-2-methylalanine2-(2,4-dinitroanilino)-2-methylpropanoic acidNSC97895SCHEMBL3988345SCHEMBL8742131DTXSID10294756NSC-97895AKOS010512742Dnp-alpha-aminoisobutyric acidAlanine, N-(2,4-dinitrophenyl)-2-methyl-N-2,4-dinitrophenyl-alpha-amino-isobutyric acid
Show more names
N-2-4-DNP-AMINO-AMINOISOBUTYRIC ACID*CRY STALLINE2-[(2,4-Dinitrophenyl)Amino]-2-Methylpropanoic AcidDNP-?-Aminoisobutyric acid 2,4-Dinitrophenyl-?-aminoisobutyric acid
Database identifiers
- CAS
90841-06-8- PubChem CID
- 263447
- DTXSID
DTXSID10294756
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 386
Physicochemical properties
- Melting point
- 190 · 190-191 °C
- Boiling point
- 499.9 · 499.9±45.0 °C(Predicted)
- Density
- 1.522 · 1.522±0.06 g/cm3(Predicted)
- pka
- 3.67 · 3.67±0.10(Predicted)
Chemistry & industry
Suppliers1 total
江苏洪珉药业有限公司18221292452 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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