Basic information
- CAS
149597-92-2- Standard SMILES
N[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
Names & identifiers
- Preferred name
- beta-Phenyl-L-phenylalanine
- IUPAC
- (2S)-2-amino-3,3-diphenylpropanoic acid
- English name
- 3,3-Diphenyl-L-alanine
- Molecular formula
- C15H15NO2
- Molecular weight
- 241.29
Names & synonyms
149597-92-2L-3,3-DiphenylalanineL-Diphenylalaninebeta-Phenyl-L-phenylalanineL-Phenylalanine, beta-phenyl-L1ZWG54X8BUNII-L1ZWG54X8B.BETA.-PHENYL-L-PHENYLALANINEL-PHENYLALANINE, .BETA.-PHENYL-RefChem:1194853,3-Diphenyl-L-alanine(S)-2-amino-3,3-diphenylpropanoic acid
Show more names
H-DPH-OHH-Dip-OHH-L-Dip-OHCAS:149597-92-2H-(3-PHENYL)PHE-OHRARECHEM BK PT 0193(S)-DIPHENYLALANINE3-Diphenyl-L-alanine
(2S)-2-amino-3,3-diphenylpropanoic acidMFCD01631989(2S)-2-azaniumyl-3,3-diphenylpropanoate(2S)-2-amino-3,3-diphenyl-propanoic acid(S)-2-Amino-3,3-diphenylpropionic acidbeta-PhenylphenylalanineL-Phenylalanine, |A-phenyl-(S)-2-Amino-3,3-diphenyl-propionic acid
Database identifiers
- CAS
149597-92-2、62653-26-3- PubChem CID
- 162977
- DTXSID
DTXSID50978220- UNII
- L1ZWG54X8B
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 250
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
GHS classification
GHS Classification
Danger
H300 (97.6%): Fatal if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 2 (97.6%)
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051580855088 18762539991 · [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
2 records
Compound notes
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