Decahydroisoquinoline

HCID 97812CAS 6329-61-9
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Grundinformationen

Standard-SMILES
C1CCC2CNCCC2C1
InChIKey
NENLYAQPNATJSU-UHFFFAOYSA-N
Summenformel
C9H17N
Durchschnittliche Molmasse
139,24 g/mol
Monoisotopische Masse
139,13609955

Namen und Bezeichner

Bevorzugter Name
Decahydroisoquinoline
IUPAC
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
Englischer Name
Decahydroisoquinoline
Summenformel
C9H17N
Molmasse
139.24

Namen und Synonyme

Decahydroisoquinoline6329-61-9PerhydroisoquinolineIsoquinoline, decahydro-Perhydroisoquinoline,c&tEINECS 228-702-4NSC 43479RefChem:131168228-702-4NENLYAQPNATJSU-UHFFFAOYSA-NMFCD000120961,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
Weitere Namen anzeigen
Perhydroisoquinoline 96%perhydroisoquinoline(PHIQ)Decahydroisoquinoline Decahydroisoquinoline ISO 9001：2015 REACHdecahydroisoQUINOLINE:perhydroisoQUINOLINE
CIS-DECAHYDROISOQUINOLINE2744-08-33-azabicyclo[4.4.0]decaneNSC43479decahydroiso-quinolinePerhydroisoquinoline, 96%SCHEMBL5159SCHEMBL14772

Datenbank-Bezeichner

CAS
6329-61-9
PubChem CID
97812
DTXSID
DTXSID80902755
EC Number
228-702-4
Nikkaji
J206.930J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,2
Polarare Oberfläche (TPSA)
12 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
0
Schwere Atome
10

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index1520；1560

Physikochemische Eigenschaften

Schmelzpunkt
180 °C · 180 °C
Siedepunkt
211 · 211-214 °C(lit.)
Dichte
0.936 g/mL · 0.936 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.4904(lit.)
Flammpunkt
175 °F · 175 °F
storage temp.
2 · 2-8°C, protect from light

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory 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 41 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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

Sicherheitsdaten

wgk
3
hs_code
2933.49.7000
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36/37/39
Speicherklasse
10 - Combustible liquids

Chemie und Industrie

Anwendungen

VerwendenPerhydroisoquinoline has been used in the synthesis of nelfinavir mesylate.

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

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