BOC-1,4-TRANS-ACHA-OH
- CAS NO.：189153-10-4
- Empirical Formula: C13H23NO4
- Molecular Weight: 257.33
- MDL number: MFCD03844588
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-04-23 13:52:06
What is BOC-1,4-TRANS-ACHA-OH?
Chemical properties
solid
The Uses of BOC-1,4-TRANS-ACHA-OH
trans-4-(Boc-amino)cyclohexaneacetic acid used as a intermediate in pharmaceutical.
Properties of BOC-1,4-TRANS-ACHA-OH
| Boiling point: | 414.9±14.0 °C(Predicted) |
| Density | 1.11±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| pka | 4.72±0.10(Predicted) |
| Water Solubility | Slightly soluble in water (1.1 g/L) (25°C) |
| InChI | InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-10-6-4-9(5-7-10)8-11(15)16/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)/t9-,10- |
Safety information for BOC-1,4-TRANS-ACHA-OH
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for BOC-1,4-TRANS-ACHA-OH
| InChIKey | IHXBNSUFUFFBRL-MGCOHNPYSA-N |
| SMILES | [C@@H]1(CC(O)=O)CC[C@@H](NC(OC(C)(C)C)=O)CC1 |
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