3-Amino-3-(pyridin-3-yl)propanoic acid
Basic information
- CAS
62247-21-6- Standard SMILES
NC(CC(=O)O)c1cccnc1- InChIKey
QOTCEJINJFHMLO-UHFFFAOYSA-N- Molecular formula
- C8H10N2O2
- Average molar mass
- 166.18 g/mol
- Monoisotopic mass
- 166.07422756
Names & identifiers
- Preferred name
- 3-Amino-3-(pyridin-3-yl)propanoic acid
- IUPAC
- 3-amino-3-pyridin-3-ylpropanoic acid
- English name
- (RS)-3-Amino-3-(3-pyridyl)-propionic acid
- Molecular formula
- C8H10N2O2
- Molecular weight
- 166.18
Names & synonyms
62247-21-63-amino-3-(pyridin-3-yl)propanoic acidDTXSID50977819RefChem:497141DTXCID90894394808-059-13-Amino-3-(3-pyridyl)propionic acid3-Amino-3-pyridin-3-yl-propionic acid3-Amino-3-(3'-pyridyl)propionic acid3-amino-3-pyridin-3-ylpropanoic acidMFCD015495983-AMINO-3-(3-PYRIDYL)PROPANOIC ACID
Show more names
RARECHEM AK HC S246ART-CHEM-BB B0133623-Amino-3-(3-pyridyLH-DL-PYG(3)-(C*CH2)OHDL-b-Pyridyl-b-alanine3-ammonio-3-(3-pyridyl)propanoate3-ammonio-3-(3-pyridyl)propionate3-Amino-3-(3-pyridyl)propionicAci3-Pyridinepropanoic acid, β-amino-3-(3-Pyridyl)-3-aminopropionic acid
(RS)-3-Amino-3-(3-Pyridyl)-Propionic Acid3-Amino-3-(3-pyridyl)propionicacid(R,S)-3-Amino-3-(3-pyridyl)propionic acidOprea1_7539171872440-40-8SCHEMBL157097CHEMBL4289372SCHEMBL30829068
Database identifiers
- CAS
62247-21-6- PubChem CID
- 3606547
- DTXSID
DTXSID50977819- ChEMBL
CHEMBL4289372- EC Number
- 808-059-1
- Nikkaji
- J1.231.449C
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Melting point
- 205 to · 205.0 to 209.0 °C
- Boiling point
- 352.6 · 352.6±32.0 °C(Predicted)
- Density
- 1.268 · 1.268±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Water Solubility
- Slightly soluble in water
- form
- powder to crystal
- pka
- 3.06 · 3.06±0.12(Predicted)
- color
- White to Almost white
- CAS DataBase Reference
- 62247 · 62247-21-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
16 records
Compound notes
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