N-Dodecanoylglycine - CAS 7596-88-5
Catalog: |
BB063144 |
Product Name: |
N-Dodecanoylglycine |
CAS: |
7596-88-5 |
Synonyms: |
Lauroylglycine; N-Lauroylglycine; NSC 404235; N-(1-Oxododecyl)glycine |
IUPAC Name: | 2-(dodecanoylamino)acetic acid |
Molecular Weight: | 257.37 |
Molecular Formula: | C14H27NO3 |
Canonical SMILES: | CCCCCCCCCCCC(=O)NCC(=O)O |
InChI: | InChI=1S/C14H27NO3/c1-2-3-4-5-6-7-8-9-10-11-13(16)15-12-14(17)18/h2-12H2,1H3,(H,15,16)(H,17,18) |
InChI Key: | JWGGSJFIGIGFSQ-UHFFFAOYSA-N |
Melting Point: | >110°C (dec.) |
Solubility: | DMSO (Sparingly, Heated), Methanol (Slightly, Heated) |
Appearance: | White to Off-White Solid |
Storage: | 4°C |
References: | Chen, B., et. al. China Petrol. Proc. Petrochemical Tech., 12, 49 (2010). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 |
Signal Word: | Warning |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.19909372 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.19909372 |
Rotatable Bond Count: | 12 |
Topological Polar Surface Area: | 66.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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