| CAS Number | 114843-08-2 |
| Catalog Number | AG000FCK(AGN-PC-0WAMHC) |
| Chemical Name | 3-Amino-1-phenylpropan-1-ol oxalate |
| IUPAC Name | 3-amino-1-phenylpropan-1-ol;oxalic acid |
| InChI | InChI=1S/C9H13NO.C2H2O4/c10-7-6-9(11)8-4-2-1-3-5-8;3-1(4)2(5)6/h1-5,9,11H,6-7,10H2;(H,3,4)(H,5,6) |
| InChI Key | UDOSHWIDUCMPHW-UHFFFAOYSA-N |
| MDL Number | MFCD29905488 |
| Molecular Formula | C11H15NO5 |
| Molecular Weight | 241.2405 |
| SMILES | OC(C1=CC=CC=C1)CCN.O=C(O)C(O)=O |
| Synonyms | 3-Amino-1-phenylpropan-1-ol oxalate,
114843-08-2,
AK206233,
KS-00000TH8,
AKOS027250579,
DS-10117,
Benzyl alcohol, alpha-(2-aminoethyl)-, oxalate (6CI),
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| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.095023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.24g/mol |
| Monoisotopic Mass | 241.095023g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 121Ų |
| Undefined Atom Stereocenter Count | 1 |
| 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-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number