CAS 82795-51-5 D-Homophenylalanine (HCID 6950302)

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Grundinformationen

CAS: 82795-51-5
Standard-SMILES: N[C@H](CCc1ccccc1)C(=O)O
InChIKey: JTTHKOPSMAVJFE-SECBINFHSA-N
Summenformel: C10H13NO2
Durchschnittliche Molmasse: 179,22 g/mol
Monoisotopische Masse: 179,09462866

Namen und Bezeichner

Bevorzugter Name: D-Homophenylalanine
IUPAC: (2R)-2-amino-4-phenylbutanoic acid
Englischer Name: D-Homophenylalanine
Summenformel: C10H13NO2
Molmasse: 179.22

Namen und Synonyme

D-Homophenylalanine82795-51-5h-d-hophe-oh(2R)-2-amino-4-phenylbutanoic acid(R)-2-amino-4-phenylbutanoic acid(r)-homophenylalanineHomophenylalanine, D-h-d-homophe-ohMFCD00063091Homophenylalanine, (-)-(R)-2-Amino-4-phenylbutyric acidD-2-amino-4-phenylbutanoic acid

Weitere Namen anzeigen

DHPAHOMO-D-PHENYLALANINED-Hphe-OHH-D-HPH-OHH-D-HFE-OHH-D-HPHE-OH

UNII-5847ZW3PEP5847ZW3PEPBenzenebutanoic acid, alpha-amino-, (alphaR)-(2R)-2-azaniumyl-4-phenylbutanoated-homophed-homophenyl-ala(2R)-2-amino-4-phenyl-butanoic acidCID 6950301

Datenbank-Bezeichner

CAS: 82795-51-5
PubChem CID: 6950302
UNII: 5847ZW3PEP
EC Number: 853-256-8
Nikkaji: J36.249B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,2
Polarare Oberfläche (TPSA): 63,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 13
Formalladung: 0
Komplexität: 164

Physikochemische Eigenschaften

Schmelzpunkt: 300 °C · >300 °C (lit.)
Siedepunkt: 311.75 °C · 311.75°C (rough estimate)
Dichte: 1.1248 · 1.1248 (rough estimate)
Brechungsindex: -45 ° · -45 ° (C=1, 3mol/L HCl)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Aqueous Acid (Sparingly), Aqueous Base (Slightly)
pka: 2.32 · 2.32±0.10(Predicted)
Aggregatzustand: Solid
Farbe: White to Off-White
BRN: 4675530 · 4675530
Major Application: peptide synthesis
InChI: InChI=1/C10H13NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/s3
InChIKey: JTTHKOPSMAVJFE-DJEYLCQNNA-N
SMILES: C(C1C=CC=CC=1)C[C@@H](N)C(=O)O |&1:8,r|
CAS Datenbank: 82795 · 82795-51-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29224999
hazard_code: Xi
safety_code: 22-24/25
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

VerwendenD-Homophenylalanine is used in peptide synthesis as an amino acid protection monomer.

Darstellung · 1 Eintrag

synthetischeSynthesis of D-Homophenylalanine: To obtain D-homophenylalanine in high yield by treating 5- benzylmethylhydantoin with a microorganism belonging to the genus Pseudomonas or a 5-hydantoin decomposition-type enzyme derived from the microorganism.