873205-62-0
Product Name:
SCA-13C-15N2 HYDROCHLORIDE
Formula:
CH6ClN3O
Synonyms:
Semicarbazide-13C-15N2 hydrochloride
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Snow white crystals. Used as a reagent for ketones and aldehydes with which it affords crystalline compounds having characteristic melting points. (EPA, 1998) |
|---|---|
| Color/Form | Prisms from dilute alcohol |
| Boiling Point | 347 to 365 °F at 760 mmHg DECOMPOSES (NTP, 1992) |
| Melting Point | 342 to 347 °F decomposes at 347-365 °F (EPA, 1998) |
| Solubility | 9.2 [ug/mL] (The mean of the results at pH 7.4) |
| Vapor Pressure | 0.13 [mmHg] |
| LogP | log Kow = -2.75 |
| Henry's Law Constant | Henry's Law constant = 1.5X10-12 atm-cu m/mol at 25 °C /Estimated/ |
| Decomposition | When heated to decomposition it emits very toxic fumes of /nitrogen oxides and hydrogen chloride/. |
| Dissociation Constants | pKa = 10.8 |
| Other Experimental Properties | Ammonolysis with liquid NH3 gives 95% yield of free base |
| Chemical Classes | Nitrogen Compounds -> Other Nitrogen Compounds |
COMPUTED DESCRIPTORS
| Molecular Weight | 111.53 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 111.0199395 g/mol |
| Monoisotopic Mass | 111.0199395 g/mol |
| Topological Polar Surface Area | 81.1 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 42.2 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Snow white crystals. Used as a reagent for ketones and aldehydes with which it affords crystalline compounds having characteristic melting points. (EPA, 1998)