| CAS Number | 1345983-89-2 |
| Catalog Number | AG00A0C1(AGN-PC-0WANB8) |
| Chemical Name | Dimethyl 3-aminopentanedioate acetate |
| IUPAC Name | acetic acid;dimethyl 3-aminopentanedioate |
| InChI | InChI=1S/C7H13NO4.C2H4O2/c1-11-6(9)3-5(8)4-7(10)12-2;1-2(3)4/h5H,3-4,8H2,1-2H3;1H3,(H,3,4) |
| InChI Key | QJGRKOMLBCJWAY-UHFFFAOYSA-N |
| MDL Number | MFCD27952975 |
| Molecular Formula | C9H17NO6 |
| Molecular Weight | 235.2344 |
| SMILES | O=C(OC)CC(N)CC(OC)=O.CC(O)=O |
| Synonyms | Dimethyl 3-aminopentanedioate acetate,
1345983-89-2,
AK147575,
KS-00000S5K,
MFCD27952975,
AKOS022187597,
DS-8782,
acetic acid;dimethyl 3-aminopentanedioate,
AX8284990,
ST24046610,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.236g/mol |
| Monoisotopic Mass | 235.106g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 116A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P280-P305+P351+P338-P310
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UN Code
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Certificate of Analysis
Lot Number