Catalog Number |
ACM97789-1 |
CAS |
97-78-9 |
Structure |
|
Synonyms |
N-Dodecanoylsarcosine |
IUPAC Name |
2-[dodecanoyl(methyl)amino]acetic acid |
Molecular Weight |
271.40 |
Molecular Formula |
C15H29NO3 |
Canonical SMILES |
CCCCCCCCCCCC(=O)N(C)CC(=O)O |
InChI |
InChI=1S/C15H29NO3/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19/h3-13H2,1-2H3,(H,18,19) |
InChI Key |
BACYUWVYYTXETD-UHFFFAOYSA-N |
Boiling Point |
413.2±28.0 °C (Predicted) |
Melting Point |
45-50 °C |
Flash Point |
203.7°C |
Purity |
90%+ |
Density |
0.98 g/cm³ |
Solubility |
Soluble in methanol, insoluble in water. |
Appearance |
Solid |
Complexity |
254 |
Covalently-Bonded Unit Count |
1 |
Defined Atom Stereocenter Count |
0 |
EC Number |
202-608-3 |
Exact Mass |
271.21474379 |
Grade |
PHARM |
Heavy Atom Count |
19 |
Hydrogen Bond Acceptor Count |
3 |
Hydrogen Bond Donor Count |
1 |
Isomeric SMILES |
CCCCCCCCCCCC(=O)N(C)CC(=O)O |
MDL Number |
MFCD00021749 |
Monoisotopic Mass |
271.21474379 |
Rotatable Bond Count |
12 |
Storage Conditions |
Room temperature |
Topological Polar Surface Area |
57.6 Ų |
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