ChemicalBook--->CAS DataBase List--->554402-60-7

554402-60-7

554402-60-7 Structure

554402-60-7 Structure
IdentificationBack 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 PropertiesBack 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 DataBack Directory
[WGK Germany ]

WGK 3
[HazardClass ]

IRRITANT
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
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