(S)-2-Azido-3-(4-tert-butoxyphenyl)propionic acid cyclohexylammonium salt - CAS 1217456-17-1
Catalog: |
BB005253 |
Product Name: |
(S)-2-Azido-3-(4-tert-butoxyphenyl)propionic acid cyclohexylammonium salt |
CAS: |
1217456-17-1 |
Synonyms: |
(2S)-2-azido-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;cyclohexanamine |
IUPAC Name: | (2S)-2-azido-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid;cyclohexanamine |
Description: | (S)-2-Azido-3-(4-tert-butoxyphenyl)propionic acid cyclohexylammonium salt (CAS# 1217456-17-1) is used in assessment of protein-ligand interations through preparation of small molecule microarrays and ultra-fast liquid chromatography. |
Molecular Weight: | 362.47 |
Molecular Formula: | C13H17N3O3 · C6H13N |
Canonical SMILES: | CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)O)N=[N+]=[N-].C1CCC(CC1)N |
InChI: | InChI=1S/C13H17N3O3.C6H13N/c1-13(2,3)19-10-6-4-9(5-7-10)8-11(12(17)18)15-16-14;7-6-4-2-1-3-5-6/h4-7,11H,8H2,1-3H3,(H,17,18);6H,1-5,7H2/t11-;/m0./s1 |
InChI Key: | BCKBVMJKEBFWBB-MERQFXBCSA-N |
Appearance: | White crystalline |
LogP: | 4.60076 |
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 |
Publication Number | Title | Priority Date |
WO-2020223368-A1 | Methods and systems for integrated on-chip single-molecule detection | 20190429 |
WO-2019207447-A1 | Method for the treatment and/or prevention of damaged keratin | 20180426 |
AU-2019259637-A1 | Method for the treatment and/or prevention of damaged keratin | 20180426 |
CN-112105341-A | A method for treating and/or preventing damaged keratin | 20180426 |
EP-3784208-A1 | Method for the treatment and/or prevention of damaged keratin | 20180426 |
Complexity: | 397 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 362.23179083 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 362.23179083 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 86.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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