Phenylalanine amide

L-PHENYLALANINE AMIDE · (S)-2-AMino-3-phenylpropanaMide · 2-Amino-3-phenylpropanamide · PHE-NH2 · L-PHENYLALANINAMIDE · (2S)-2-amino-3-phenylpropanamide · (S)-2-Amino-3-phenylpropionyl amide · H-Phe-Nh

https://huagongshe.com/de/chemical/445694

Identifikatoren & physikalische Daten

CAS No.	5241-58-7
Summenformel	C9H12N2O
Durchschnittliche Molmasse	164,2 g/mol
Monoisotopische Masse	164,094963 g/mol
SMILES	NC(=O)[C@@H](N)Cc1ccccc1
InChIKey	OBSIQMZKFXFYLV-QMMMGPOBSA-N
PubChem CID	445694
ChEMBL	CHEMBL350320
ChEBI	CHEBI:21371
EC No.	875-163-1
DTXSID	DTXSID601316232

Chemische & physikalische Eigenschaften

XLogP	0,1
Polarare Oberfläche (TPSA)	69,1
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	3
Schwere Atome	12
Formalladung	0
Komplexität	153
Arzneimittel	Pharmaceuticals -> Listed in ZINC15
Schmelzpunkt	93-95°C
Siedepunkt	356.9±35.0 °C(Predicted)
Dichte	1.143±0.06 g/cm3(Predicted)
Lagerbedingungen	Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
Löslichkeit	Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
pKa (Säurekonstante)	15.85±0.50(Predicted)
Aggregatzustand	Powder
Farbe	White
BRN	6270941
Hauptanwendungen	detection
InChI	1S/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m0/s1
InChIKey	OBSIQMZKFXFYLV-QMMMGPOBSA-N
SMILES	N[C@@H](Cc1ccccc1)C(N)=O
CAS Datenbank	5241-58-7(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Wassergefährdungsklasse (WGK)	3
Gefahrenklasse	IRRITANT
Lagerklasse	13 - Non Combustible Solids

Anwendungen & Verwendung

Verwenden

Protected amino acid