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129042-60-0

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129042-60-0 Structure

129042-60-0 Structure
IdentificationBack Directory
[Name]

3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid
[CAS]

129042-60-0
[Synonyms]

1,3-Benzodioxole-5-propanoic acid, β-amino-
3-AMINO-3-BENZO[1,3]DIOXOL-5-YL-PROPIONIC ACID
3-Amino-3-(3,4-methylendioxyphenyl)propionic acid
3-amino-3-(2H-1,3-benzodioxol-5-yl)propanoic acid
[Molecular Formula]

C10H11NO4
[MDL Number]

MFCD00736965
[MOL File]

129042-60-0.mol
[Molecular Weight]

209.2
Chemical PropertiesBack Directory
[Melting point ]

233 °C (decomp)
[Boiling point ]

381.9±42.0 °C(Predicted)
[density ]

1.404±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C(protect from light)
[form ]

solid
[pka]

3.45±0.12(Predicted)
[Appearance]

White to off-white Solid
[InChI]

1S/C10H11NO4/c11-7(4-10(12)13)6-1-2-8-9(3-6)15-5-14-8/h1-3,7H,4-5,11H2,(H,12,13)
[InChIKey]

DJWMFJZOSZPAHI-UHFFFAOYSA-N
[SMILES]

NC(C1=CC=C2OCOC2=C1)CC(O)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[WGK Germany ]

WGK 3
[HS Code ]

2932990090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Spectrum DetailBack Directory
[Spectrum Detail]

3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid(129042-60-0)1HNMR
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