| Identification | Back Directory | [Name]
3-amino-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]propanoic acid | [CAS]
554402-60-7 | [Synonyms]
SBB017167 EU-0099991 Oprea1_689485 3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-ammoniopropanoate 3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-azaniumylpropanoate 3-amino-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]propanoic acid Benzenepropanoic acid, β-amino-4-(2-amino-2-oxoethoxy)-3-methoxy- 3-[4-(2-amino-2-keto-ethoxy)-3-methoxy-phenyl]-3-ammonio-propionate 3-amino-3-[4-(2-amino-2-keto-ethoxy)-3-methoxy-phenyl]propionic acid 3-[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]-3-azaniumyl-propanoate | [Molecular Formula]
C12H16N2O5 | [MDL Number]
MFCD02656476 | [MOL File]
554402-60-7.mol | [Molecular Weight]
268.266 |
| Chemical Properties | Back Directory | [Melting point ]
220 °C (decomp)(Solv: water (7732-18-5)) | [Boiling point ]
534.2±50.0 °C(Predicted) | [density ]
1.320±0.06 g/cm3(Predicted) | [form ]
solid | [pka]
3.71±0.10(Predicted) | [InChI]
1S/C12H16N2O5/c1-18-10-4-7(8(13)5-12(16)17)2-3-9(10)19-6-11(14)15/h2-4,8H,5-6,13H2,1H3,(H2,14,15)(H,16,17) | [InChIKey]
IXNFIEZDVQLKFQ-UHFFFAOYSA-N | [SMILES]
NC(C1=CC=C(OCC(N)=O)C(OC)=C1)CC(O)=O |
| Safety Data | Back Directory | [WGK Germany ]
WGK 3 | [HazardClass ]
IRRITANT | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2 Skin Irrit. 2 |
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