(R)-2-[(5-Fluoro-2,4-dinitrophenyl)amino]-3-methylbutanamide - CAS 210529-62-7
Catalog: |
BB016565 |
Product Name: |
(R)-2-[(5-Fluoro-2,4-dinitrophenyl)amino]-3-methylbutanamide |
CAS: |
210529-62-7 |
Synonyms: |
(2R)-2-(5-fluoro-2,4-dinitroanilino)-3-methylbutanamide; (2R)-2-(5-fluoro-2,4-dinitroanilino)-3-methylbutanamide |
IUPAC Name: | (2R)-2-(5-fluoro-2,4-dinitroanilino)-3-methylbutanamide |
Description: | (R)-2-[(5-Fluoro-2,4-dinitrophenyl)amino]-3-methylbutanamide (CAS# 210529-62-7) is a useful intermediate. |
Molecular Weight: | 300.24 |
Molecular Formula: | C11H13FN4O5 |
Canonical SMILES: | CC(C)C(C(=O)N)NC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])F |
InChI: | InChI=1S/C11H13FN4O5/c1-5(2)10(11(13)17)14-7-3-6(12)8(15(18)19)4-9(7)16(20)21/h3-5,10,14H,1-2H3,(H2,13,17)/t10-/m1/s1 |
InChI Key: | ZTFFRKNPAXXEBL-SNVBAGLBSA-N |
Boiling Point: | 537.5 °C at 760 mmHg |
Density: | 1.469 g/cm3 |
LogP: | 3.38360 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | 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 |
Signal Word: | Warning |
PMID | Publication Date | Title | Journal |
21941889 | 20110901 | Szentiamide, an N-formylated cyclic depsipeptide from Xenorhabdus szentirmaii DSM 16338T | Natural product communications |
Complexity: | 422 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 300.08699769 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 300.08699769 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 147 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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