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| Name |
6-(N-Tosyl)aminocaproic acid diazomethyl ketone |
EINECS | N/A |
| CAS No. | 72676-77-8 | Density | g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H19N3O3S | Boiling Point | °Cat760mmHg |
| Molecular Weight | 309.389 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by an unspecified route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx and Cl−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
6-(N-Tosyl)aminocaproic acid diazomethyl ketone Chemical Properties
IUPAC Name: (Z)-1-diazonio-7-[(4-methylphenyl)sulfonylamino]hept-1-en-2-olate
Empirical Formula: C14H19N3O3S
Molecular Weight: 309.384g/mol
Structure of 6-(N-Tosyl)aminocaproic acid diazomethyl ketone (CAS NO.72676-77-8):
XLogP3-AA: 3.8
H-Bond Donor: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 8
Exact Mass: 309.114712
MonoIsotopic Mass: 309.114712
Topological Polar Surface Area: 97.4
Heavy Atom Count: 21
Formal Charge: 0
Complexity: 479
Classification Code: Drug / Therapeutic Agent
Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=C[N+]#N)[O-]
Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCCCCC/C(=C/[N+]#N)/[O-]
InChI: InChI=1S/C14H19N3O3S/c1-12-6-8-14(9-7-12)21(19,20)17-10-4-2-3-5-13(18)11-16-15/h6-9,11,17H,2-5,10H2,1H3/b13-11-
InChIKey: DFUCISWWAMEOST-QBFSEMIESA-N
6-(N-Tosyl)aminocaproic acid diazomethyl ketone Toxicity Data With Reference
| 1. | unr-mus LD50:400 mg/kg | JPMSAE Journal of Pharmaceutical Sciences. 69 (1980),1451. |
6-(N-Tosyl)aminocaproic acid diazomethyl ketone Safety Profile
A poison by an unspecified route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx and Cl−.
6-(N-Tosyl)aminocaproic acid diazomethyl ketone Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid
6-(N-Tosyl)aminocaproic acid diazomethyl ketone Specification
6-(N-Tosyl)aminocaproic acid diazomethyl ketone , its cas register number is 72676-77-8. It also can be called
Benzenesulfonamide, N-(7-diazo-6-oxoheptyl)-4-methyl- ; N-(7-Diazo-6-oxoheptyl)-p-toluenesulonamide ; p-Toluenesulfonamide, N-(7-diazo-6-oxoheptyl)- .
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