Nortropine

(1R,3r,5S)-8-azabicyclo[3.2.1]octan-3-ol · Nortropin · endo-8-Azabicyclo[3.2.1]octan-3-ol · (1R,5S)-8-Azabicyclo[3.2.1]octan-3-ol · NSC 72850 · NORTROPINE · Tropigenin · Tropigenine

https://huagongshe.com/de/chemical/73480

Identifikatoren & physikalische Daten

CAS No.	538-09-0
Summenformel	C7H13NO
Durchschnittliche Molmasse	127,18 g/mol
Monoisotopische Masse	127,09971404 g/mol
SMILES	OC1C[C@H]2CC[C@@H](C1)N2
InChIKey	YYMCYJLIYNNOMK-MEKDEQNOSA-N
PubChem CID	73480
EC No.	700-286-3

Chemische & physikalische Eigenschaften

XLogP	0,3
Polarare Oberfläche (TPSA)	32,3
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	0
Schwere Atome	9
Formalladung	0
Komplexität	103
Kovats Retention Index	1160
Schmelzpunkt	108-110°C
Siedepunkt	229.6 °C
Dichte	1.096
Brechungsindex	1.52
Flammpunkt	116.8 °C
Lagerbedingungen	Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit	DMSO (Slightly), Methanol (Slightly), Water
Aggregatzustand	Solid
pKa (Säurekonstante)	14.89±0.20(Predicted)
Farbe	Off-White to Light Beige
InChI	InChI=1/C7H13NO/c9-7-3-5-1-2-6(4-7)8-5/h5-9H,1-4H2/t5-,6+,7+
InChIKey	YYMCYJLIYNNOMK-ZMONIFLSNA-N
SMILES	O[C@@H]1C[C@@H]2CC[C@@H](N2)C1 \|&1:1,3,6,r\|

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]H303 (12.5%): May be harmful if swallowed [Warning Acute toxicity, oral]H312 (12.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]H319 (12.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (12.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 8 reports by companies from 4 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.
Regulatorische Informationen	Status: Active Update: 03-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27381Status: Active Update: 15-10-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/1042
Hazard Classes and Categories	Acute Tox. 4 (75%)Acute Tox. 5 (12.5%)Acute Tox. 4 (12.5%)Eye Irrit. 2 (12.5%)
Zollcode	2904200090
RTECS-Nr.	RD0700000