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Basic information
- CAS
31434-93-2- Standard SMILES
COC(=O)CCc1cnc[nH]1- InChIKey
YFEPBWKUBQUBKL-UHFFFAOYSA-N- Molecular formula
- C7H10N2O2
- Average molar mass
- 154.17 g/mol
- Monoisotopic mass
- 154.07422757
Names & identifiers
- Preferred name
- Methyl 3-(1H-Imidazol-5-Yl)Propanoate
- IUPAC
- methyl 3-(1H-imidazol-5-yl)propanoate
- English name
- Methyl 3-(1H-imidazol-4-yl)-propanoate hydrochloride
- Molecular formula
- C7H10N2O2
- Molecular weight
- 154.17
Names & synonyms
methyl 3-(1H-imidazol-5-yl)propanoateRefChem:108937331434-93-2Methyl 3-(1H-imidazol-4-yl)propanoateMethyl 3-(Imidazol-4-yl) Propionate3-(1H-Imidazol-4-yl)-propionic Acid Methyl EsterMFCD04039607Methyl imidazole-4-propionateSCHEMBL1039137SCHEMBL6932429CHEMBL1780252SCHEMBL10448007
Show more names
Methyl imidazolepropionateMethyl 4-imidazolepropionateMethyl 1H-imidazole-5-propanoateMethyl 3-(imidazol-4-yl)propanoateMethyl 3-(IMidazol-4-yl) Propionate (HCL)1H-IMidazole-5-propanoic acid, Methyl esterMethyl 3-(Imidazol-4-Yl) Propionate(WXC03742)
SCHEMBL23167374methyl 3-(4-imidazolyl)propionateMethyl 3-(4-Imidazolyl)propanoateAKOS006238370Methyl3-(1H-imidazol-4-yl)propanoateSB36537methyl 3-(1H-imidazol-4-yl)propionateImidazole-4-propionic acid, methyl ester
Database identifiers
- CAS
31434-93-2- PubChem CID
- 565491
- ChEMBL
CHEMBL1780252- EC Number
- 190-879-8
- Nikkaji
- J1.305.534C
Properties
Computed structural propertiesFilling in
- XLogP
- 0.2
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Melting point
- 42 · 42-45C
- Boiling point
- 328 ℃ · 328℃
- Density
- 1.183 · 1.183
- Flash point
- 152 ℃ · 152℃
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- soluble in Dichloromethane, Ethyl Acetate, Methanol
- form
- Solid
- pka
- 14 · 14.00±0.10(Predicted)
- color
- Off-White to Pale Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesMethyl 3-(Imidazol-4-yl) Propionate (cas# 31434-93-2) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Suppliers41 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
Related reactions
1 records
Compound notes
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