Basic information
- CAS
943-80-6- Standard SMILES
Nc1ccc(C[C@H]([NH3+])C(=O)[O-])cc1- InChIKey
CMUHFUGDYMFHEI-QMMMGPOBSA-N- Molecular formula
- C9H12N2O2
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.08987763
Overview
4-amino-L-phenylalanine zwitterion is an amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of 4-amino-L-phenylalanine; major species at pH 7.3. It is a tautomer of a 4-amino-L-phenylalanine.
Names & identifiers
- Preferred name
- Para-amino-l-phenylalanine
- IUPAC
- (2S)-3-(4-aminophenyl)-2-azaniumylpropanoate
- English name
- 4-Amino-L-phenylalanine
- Molecular formula
- C9H12N2O2
- Molecular weight
- 180.2
Names & synonyms
para-amino-l-phenylalanineCHEBI:1430724-amino-L-phenylalanine zwitterion(S)-2-AMINO-3-(4-AMINOPHENYL)PROPANOIC ACIDp-Aminophenylalanine4-Amino-L4-Amino-PheL-4-AMINOPHE4-Amino-L-PheL-4-NH2-Phe-OH4-Amino-Phe-OHH-PHE(4-NH2)-OH
Show more names
H-PHE(4'-NH2)-OH
Database identifiers
- CAS
943-80-6- PubChem CID
- 6973639
- ChEBI
CHEBI:143072
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Melting point
- 265 °C · 265 °C (decomp)
- Boiling point
- 383.5 · 383.5±32.0 °C(Predicted)
- Density
- 1.289 · 1.289±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- solubility
- Methanol (Slightly, Sonicated), Water (Slightly, Sonicated)
- form
- Solid
- pka
- 2.14 · 2.14±0.10(Predicted)
- color
- Pale Beige to Beige
- Water Solubility
- Soluble in water.
- Sensitive
- Air Sensitive
- CAS DataBase Reference
- 943 · 943-80-6(CAS DataBase Reference)
- FDA UNII
- 1567 B560CH · 1567B560CH
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
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
- wgk
- 3
- hs_code
- 2922498590
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesIt finds its application in the purification of peptide synthetases involved in pristinamycin I biosynthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏吉泰肽业科技有限公司18936337900 18936337900 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Hangzhou Go Top Peptide Biotech0571-88211921 · [email protected]
上海嘉莱多生物技术有限责任公司021-61732478 19946252459 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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