N-(3,5-Dinitrobenzoyl)-DL-leucine
Basic information
- CAS
74928-54-4- Standard SMILES
CC(C)CC(NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)O- InChIKey
DIOBIOPCRMWGAT-UHFFFAOYSA-N- Molecular formula
- C13H15N3O7
- Average molar mass
- 325.27 g/mol
- Monoisotopic mass
- 325.09099983
Names & identifiers
- Preferred name
- N-(3,5-Dinitrobenzoyl)-DL-leucine
- IUPAC
- 2-[(3,5-dinitrobenzoyl)amino]-4-methylpentanoic acid
- English name
- N-(3,5-Dinitrobenzoyl)-DL-leucine
- Molecular formula
- C13H15N3O7
- Molecular weight
- 325.27
Names & synonyms
N-(3,5-Dinitrobenzoyl)-DL-leucine74928-54-4RefChem:825968624-126-6Leucine,N-(3,5-dinitrobenzoyl)-2-[(3,5-dinitrobenzoyl)amino]-4-methylpentanoic acidNSC-401042SCHEMBL452263n-(3,5-dinitrobenzoyl)-s-leucineNSC401042AKOS016607202HY-W142033
Show more names
AURORA KA-8026DNB-(R,S)-leucineLeucine, N-(3,5-dinitrobenzoyl)-N-(3,5-Dinitrobenzoyl)-DL-leucine 99%Fluphenazine Dihydrochloride Impurity 9N-(3,5-DINITROBENZOYL)-DL-LEUCINE USP/EP/BPrac-(R*)-N-(3,5-Dinitrobenzoyl)-α-isobutylglycinerac-(R*)-N-(3,5-Dinitrobenzoyl)-2-isobutylglycine
DA-75848N-(3,5-Dinitrobenzoyl)-DL-leucine, 99%CS-0201818ST509976242-[(3,5-dinitrophenyl)carbonylamino]-4-methylpentanoic acid
Database identifiers
- CAS
74928-54-4、7495-01-4- PubChem CID
- 344243
- EC Number
- 624-126-6
- Nikkaji
- J373.751I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 461
Physicochemical properties
- Melting point
- 200 · 200-202 °C (lit.)
- Boiling point
- 515.7 · 515.7±50.0 °C(Predicted)
- Density
- 1.405 · 1.405±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 3.77 · 3.77±0.40(Predicted)
- form
- solid
- Major Application
- peptide synthesis
- InChI
- 1S/C13H15N3O7/c1-7(2)3-11(13(18)19)14-12(17)8-4-9(15(20)21)6-10(5-8)16(22)23/h4-7,11H,3H2,1-2H3,(H,14,17)(H,18,19)
- InChIKey
- DIOBIOPCRMWGAT-UHFFFAOYSA-N
- SMILES
- CC(C)CC(NC(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)C(O)=O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Usespeptide synthesis
Suppliers
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Related reactions
0 records
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Compound notes
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