Basic information
- CAS
4178-93-2- Standard SMILES
CC(C)CC(Nc1ccc([N+](=O)[O-])cc1)C(N)=O- InChIKey
GIEQEPUANFBFEJ-UHFFFAOYSA-N- Molecular formula
- C12H17N3O3
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.12699141
Names & identifiers
- Preferred name
- 4-Methyl-2-(4-nitroanilino)pentanamide
- IUPAC
- 4-methyl-2-(4-nitroanilino)pentanamide
- English name
- H-Leu-PNA
- Molecular formula
- C12H17N3O3
- Molecular weight
- 251.28
Names & synonyms
4-methyl-2-(4-nitroanilino)pentanamideEINECS 224-047-3LEU-PNAL-Leu-pNAH-Leu-PNAH-L-LEU-PNALEUCINE-PNA(s)-pentanamideucine-p-nitroaniLH-LEU-PNA USP/EP/BPL-leu-p-NitroanilideLEUCINE P-NITROANILIDE
Database identifiers
- CAS
4178-93-2- PubChem CID
- 20147
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Melting point
- 88 · 88-90 °C
- Boiling point
- 394.44 °C · 394.44°C (rough estimate)
- Density
- 1.1711 · 1.1711 (rough estimate)
- refractive index
- 1.529 · 1.5290 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- Soluble in DMSO (>100 mM), and methanol (>25 mM).
- form
- Light yellow powder.
- Appearance
- Light yellow to yellow Solid
- BRN
- 2218433 · 2218433
- InChI
- 1S/C12H17N3O3/c1-8(2)7-11(13)12(16)14-9-3-5-10(6-4-9)15(17)18/h3-6,8,11H,7,13H2,1-2H3,(H,14,16)/t11-/m0/s1
- InChIKey
- AXZJHDNQDSVIDR-NSHDSACASA-N
- SMILES
- CC(C)C[C@H](N)C(=O)Nc1ccc(cc1)[N+]([O-])=O
- CAS DataBase Reference
- 4178 · 4178-93-2(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · Pentanamide, 2-amino-4-methyl-N-(4-nitrophenyl)-, (2S)- (4178-93-2)
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
- F
- 10-23
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29252900
- risk_code
- 36-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-24/25-36/37-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317-H319
- Hazard Classifications
- Eye Irrit. 2Skin Sens. 1
- Precautionary statements
- P261-P264-P272-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesSubstrate for the colorimetric determination of leucine aminopeptidase.
UsesH-Leu-pna is an inhibitor.
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Hangzhou Go Top Peptide Biotech0571-88211921 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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