3-[(5-Methylpyridin-2-yl)amino]propanoic acid
Basic information
- CAS
103796-00-5- Standard SMILES
Cc1ccc(NCCC(=O)O)nc1- InChIKey
QKCYNVOCHOEPFM-UHFFFAOYSA-N- Molecular formula
- C9H12N2O2
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.08987763
Names & identifiers
- Preferred name
- 3-[(5-Methylpyridin-2-yl)amino]propanoic acid
- IUPAC
- 3-[(5-methyl-2-pyridinyl)amino]propanoic acid
- English name
- 3-[(5-methylpyridin-2-yl)amino]propanoic acid
- Molecular formula
- C9H12N2O2
- Molecular weight
- 180.20378
Names & synonyms
3-[(5-methylpyridin-2-yl)amino]propanoic acid103796-00-53-[(5-Methyl-2-pyridyl)amino]propanoic AcidMFCD09877624AKOS000177899SY176236CS-02493303-[(5-methylpyridin-2-yl)amino]propanoicacidEN300-43139G41032Z295404834β-Alanine, N-(5-methyl-2-pyridinyl)-
Database identifiers
- CAS
103796-00-5- PubChem CID
- 24697280
- EC Number
- 127-319-9
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Boiling point
- 392.4 · 392.4±32.0 °C(Predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- pka
- 4.21 · 4.21±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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