1-Aminocyclopropane-1-carboxylic acid

Identifikatoren & physikalische Daten

CAS No.	22059-21-8
Summenformel	C4H7NO2
Durchschnittliche Molmasse	101,1 g/mol
Monoisotopische Masse	101,04767847 g/mol
SMILES	NC1(C(=O)O)CC1
InChIKey	PAJPWUMXBYXFCZ-UHFFFAOYSA-N
PubChem CID	535
ChEMBL	CHEMBL265325
ChEBI	CHEBI:18053
EC No.	606-917-8
DTXSID	DTXSID9039577

Chemische & physikalische Eigenschaften

XLogP	-2,8
Polarare Oberfläche (TPSA)	63,3
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	1
Schwere Atome	7
Formalladung	0
Komplexität	106
LogP (Verteilungskoeffizient)	-2.78
Schmelzpunkt	229 - 231 °C
Physical Description	Solid
Dissociation Constants	2.73
Collision Cross Section	135.6 Å² [M-H]-

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory 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)Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and Categories	Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (97.7%)

GHS-Einstufung

WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory 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)Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard Classes and Categories

Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (97.7%)