Basic information
- CAS
149597-92-2- Standard SMILES
[NH3+][C@H](C(=O)[O-])C(c1ccccc1)c1ccccc1- InChIKey
PECGVEGMRUZOML-AWEZNQCLSA-N- Molecular formula
- C15H15NO2
- Average molar mass
- 241.28 g/mol
- Monoisotopic mass
- 241.11027872
Overview
See also: beta-Phenyl-L-phenylalanine (preferred).
Names & identifiers
- Preferred name
- CID 7010705
- IUPAC
- (2S)-2-azaniumyl-3,3-diphenylpropanoate
- English name
- 3,3-Diphenyl-L-alanine
- Molecular formula
- C15H15NO2
- Molecular weight
- 241.29
Names & synonyms
L-DiPhenylalanineL-3,3-DIPHENYLALANINEH-DPH-OHH-Dip-OHH-L-Dip-OHCAS:149597-92-2H-(3-PHENYL)PHE-OHRARECHEM BK PT 0193(S)-DIPHENYLALANINE3-Diphenyl-L-alanine
Database identifiers
- CAS
149597-92-2- PubChem CID
- 7010705
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 234 · 234-240 °C
- Boiling point
- 389.2 · 389.2±30.0 °C(Predicted)
- Density
- 1.198 · 1.198±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- pka
- 2.11 · 2.11±0.10(Predicted)
- color
- White
- Major Application
- peptide synthesis
- InChI
- InChI=1/C15H15NO2/c16-14(15(17)18)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H,16H2,(H,17,18)/t14-/s3
- InChIKey
- PECGVEGMRUZOML-AWEZNQCLSA-N
- SMILES
- C([C@H](N)C(=O)O)(C1=CC=CC=C1)C1=CC=CC=C1 |&1:1,r|
- CAS DataBase Reference
- 149597 · 149597-92-2(CAS DataBase Reference)
- FDA UNII
- 1 ZWG54X8B · L1ZWG54X8B
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 22 · NA.22
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
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 2
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 2922498590
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T,Xi
- safety_code
- 45
- hazard_class
- 6.1
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- Ⅲ
- Hazard statements
- H300
- Hazard Classifications
- Acute Tox. 2 Oral
- Precautionary statements
- P264-P301+P310
Chemistry & industry
Applications
Uses3,3-Diphenyl-L-alanine is used as organic chemical synthesis intermediate.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
江苏吉泰肽业科技有限公司18936337900 18936337900 · [email protected]
湖北宥澄新材料科技有限公司17764017698 13163370568 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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