Products Categories
| CAS No.: | 72676-74-5 |
|---|---|
| Name: | (1Z,3R,4R)-1-diazonio-4-methyl-3-{[(4-methylphenyl)sulfonyl]amino}hex-1-en-2-olate (non-preferred name) |
| Molecular Structure: | |
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| Formula: | C14H18N3O3S |
| Molecular Weight: | 309.389 |
| Density: | g/cm3 |
| Boiling Point: | °Cat760mmHg |
| Flash Point: | °C |
| Safety: | A poison by an unspecified route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx and SOx. |
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Chemistry
Empirical Formula of N-Tosyl-D,L-isoleucine diazomethyl ketone (CAS NO.72676-74-5): C14H19N3O3S
Molecular Weight: 309.384
Structure of N-Tosyl-D,L-isoleucine diazomethyl ketone (CAS NO.72676-74-5):
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IUPAC Name: (Z,3R,4R)-1-Diazonio-4-methyl-3-[(4-methylphenyl)sulfonylamino]hex-1-en-2-olate
Canonical SMILES: CCC(C)C(C(=C[N+]#N)[O-])NS(=O)(=O)C1=CC=C(C=C1)C
Isomeric SMILES: CC[C@@H](C)[C@H](/C(=C/[N+]#N)/[O-])NS(=O)(=O)C1=CC=C(C=C1)C
InChI: InChI=1S/C14H19N3O3S/c1-4-11(3)14(13(18)9-16-15)17-21(19,20)12-7-5-10(2)6-8-12/h5-9,11,14,17H,4H2,1-3H3/b13-9-/t11-,14-/m1/s1
InChIKey: GTLNDAVKPAJMCJ-OIVWFDOYSA-N
Toxicity Data With Reference
| 1. | unr-mus LD50:100 mg/kg | JPMSAE Journal of Pharmaceutical Sciences. 69 (1980),1451. |
Safety Profile
A poison by an unspecified route. A flammable liquid. When heated to decomposition N-Tosyl-D,L-isoleucine diazomethyl ketone (CAS NO.72676-74-5) emits toxic vapors of NOx and SOx.
Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid
Specification
N-Tosyl-D,L-isoleucine diazomethyl ketone , its cas register number is 72676-74-5. It also can be called p-Toluenesulfonamide, N-(1-(diazoacetyl)-2-methylbutyl)-, (R*,R*)- (+-)- ; Benzenesulfonamide, N-(1-(diazoacetyl)-2-methylbutyl)-4-methyl-, (R*,R*)-(+-)- (9CI) ; and (+-)-(R*,R*)-N-(1-(Diazoacetyl)-2-methylbutyl)-p-toluenesulfonamide .