7-Cyano-1,2,3,4-tetrahydroisoquinoline

7-CYANO-1,2,3,4-TETRAHYDROISOQUINOLINE · 1,2,3,4-Tetrahydro-isoquinolin-7-carbonitrile · 1,2,3,4-TETRAHYDRO-ISOQUINOLINE-7-CARBONITRILE · 7-Isoquinolinecarbonitrile, 1,2,3,4-tetrahydro-

https://huagongshe.com/de/chemical/10176243

Molekülstruktur von 7-Cyano-1,2,3,4-tetrahydroisoquinoline

Identifikatoren & physikalische Daten

CAS No.	149355-52-2
Summenformel	C10H10N2
Durchschnittliche Molmasse	158,2 g/mol
Monoisotopische Masse	158,08439832 g/mol
SMILES	N#Cc1ccc2c(c1)CNCC2
InChIKey	LJFNUFCUPDECPC-UHFFFAOYSA-N
PubChem CID	10176243
ChEMBL	CHEMBL27162
EC No.	676-252-6
DTXSID	DTXSID10436396

Chemische & physikalische Eigenschaften

XLogP	1
Polarare Oberfläche (TPSA)	35,8
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	0
Schwere Atome	12
Formalladung	0
Komplexität	203
Siedepunkt	301.5±42.0 °C(Predicted)
Dichte	1.14±0.1 g/cm3(Predicted)
Lagerbedingungen	2-8°C(protect from light)
pKa (Säurekonstante)	8.55±0.20(Predicted)
Aggregatzustand	solid
Farbe	White
InChI	1S/C10H10N2/c11-6-8-1-2-9-3-4-12-7-10(9)5-8/h1-2,5,12H,3-4,7H2
InChIKey	LJFNUFCUPDECPC-UHFFFAOYSA-N
SMILES	N#Cc1ccc2CCNCc2c1

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P316, P317, P321, P330, P361+P364, P362+P364, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 3 (25%)
Wassergefährdungsklasse (WGK)	WGK 3
UN-Transportnummer	3439
Zollcode	2933992000
R-Sätze (R)	20/21/22-51-22
Gefahrensymbole	Xn
Sicherheitshinweise (S)	22-36/37/39
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Acute Tox. 4 OralAquatic Chronic 2

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HCID 10176243Erstellt: 27. Oktober 2026