| CAS Number | 1304513-50-5 |
| Catalog Number | AG000UG3(AGN-PC-0WCZAC) |
| Chemical Name | Trimethyl 3,3',3''-phosphinetriyltripropanoate hydrochloride |
| IUPAC Name | methyl 3-bis(3-methoxy-3-oxopropyl)phosphanylpropanoate;hydrochloride |
| InChI | InChI=1S/C12H21O6P.ClH/c1-16-10(13)4-7-19(8-5-11(14)17-2)9-6-12(15)18-3;/h4-9H2,1-3H3;1H |
| InChI Key | WTQICRWGUQSICN-UHFFFAOYSA-N |
| MDL Number | MFCD11505666 |
| Molecular Formula | C12H22ClO6P |
| Molecular Weight | 328.7262 |
| SMILES | COC(=O)CCP(CCC(=O)OC)CCC(=O)OC.Cl |
| Synonyms | 1304513-50-5,
Trimethyl 3,3',3''-phosphinetriyltripropanoate hydrochloride,
MFCD11505666,
AX8326267,
Tri(2-methoxycarbonylethyl)phosphine hydrochloride,
3-[bis-(2-methoxycarbonyl-ethyl)-phosphanyl]-propionic acid methyl ester,
3-[Bis-(2-methoxycarbonyl-ethyl)-phosphanyl]-propionic acid methyl ester hydrochloride,
Propanoic acid, 3,3',3''-phosphinidynetris-, 1,1',1''-trimethyl ester, hydrochloride (1:1),
tri(2-methoxycarbonylethyl)phosphine,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 328.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 328.726g/mol |
| Monoisotopic Mass | 328.084g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 78.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H315-H317-H319-H335-H360
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P201-P261-P280-P305+P351+P338-P308+P313
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number