Basic information
- CAS
66839-25-6- Standard SMILES
CC(CNCc1ccccc1)C(=O)O- InChIKey
MHNYZRMMCUVHAA-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Names & identifiers
- Preferred name
- 3-(Benzylamino)-2-methylpropanoic acid
- IUPAC
- 3-(benzylamino)-2-methylpropanoic acid
- English name
- Propanoic acid, 2-methyl-3-[(phenylmethyl)amino]-
- Molecular formula
- C11H15NO2
- Molecular weight
- 193.24
Names & synonyms
3-(benzylamino)-2-methylpropanoic acid66839-25-6DTXSID40328593RefChem:275110DTXCID60279699Propanoic acid, 2-methyl-3-[(phenylmethyl)amino]-N-benzyl-2-methyl-beta-alanineSCHEMBL110810343-(benzylamino)-2-methylpropanoicacid3-(N-benzylamino)-2-methylpropionic acidEN300-143930
Database identifiers
- CAS
66839-25-6- PubChem CID
- 412295
- DTXSID
DTXSID40328593- Nikkaji
- J703.608F
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Melting point
- 150 · 150-152 °C
- Boiling point
- 338.9 · 338.9±25.0 °C(Predicted)
- Density
- 1.1 · 1.100±0.06 g/cm3(Predicted)
- pka
- 3.69 · 3.69±0.21(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
上海拓目化工有限公司13391076197 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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