N-Acetyl-L-alanine

https://huagongshe.com/de/chemical/88064

Identifikatoren & physikalische Daten

CAS No.	110294-55-8
Summenformel	C5H9NO3
Durchschnittliche Molmasse	131,13 g/mol
Monoisotopische Masse	131,05824315 g/mol
SMILES	CC(=O)N[C@@H](C)C(=O)O
InChIKey	KTHDTJVBEPMMGL-VKHMYHEASA-N
PubChem CID	88064
ChEMBL	CHEMBL1231115
ChEBI	CHEBI:40992
EC No.	202-602-0
DTXSID	DTXSID50861704

Chemische & physikalische Eigenschaften

XLogP	-0,9
Polarare Oberfläche (TPSA)	66,4
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	2
Schwere Atome	9
Formalladung	0
Komplexität	132
Arzneimittel	Pharmaceuticals -> Listed in ZINC15
SpringerMaterials Properties	Nuclear quadrupole resonance spectroscopy
Physical Description	Solid
Collision Cross Section	138.07 Å² [M+Na]+ [CCS Type: DTMethod: stepped-field]134.7 Å² [M+Na]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)

GHS-Einstufung

WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Skin Irrit. 2 (100%)