3-[2-(azepan-1-yl)ethyl]-2-phenyl-1H-indole

Modify Date: 2025-08-24 19:02:37

3-[2-(azepan-1-yl)ethyl]-2-phenyl-1H-indole Structure
3-[2-(azepan-1-yl)ethyl]-2-phenyl-1H-indole structure
 Common Name 3-[2-(azepan-1-yl)ethyl]-2-phenyl-1H-indole
CAS Number 4509-85-7 Molecular Weight 318.45500
Density 1.093g/cm3 Boiling Point 514ºC at 760 mmHg
Molecular Formula C22H26N2 Melting Point N/A
MSDS N/A Flash Point 264.6ºC

 Names

Name 3-[2-(azepan-1-yl)ethyl]-2-phenyl-1H-indole

 Chemical & Physical Properties

Density 1.093g/cm3
Boiling Point 514ºC at 760 mmHg
Molecular Formula C22H26N2
Molecular Weight 318.45500
Flash Point 264.6ºC
Exact Mass 318.21000
PSA 19.03000
LogP 5.19130
Index of Refraction 1.617
InChIKey SXZFPSNZDICOEH-UHFFFAOYSA-N
SMILES c1ccc(-c2[nH]c3ccccc3c2CCN2CCCCCC2)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NL8792480
CHEMICAL NAME :
Indole, 3-(2-(hexahydro-1H-azepin-1-yl)ethyl)-2-phenyl-
CAS REGISTRY NUMBER :
4509-85-7
BEILSTEIN REFERENCE NO. :
0493116
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C22-H26-N2
MOLECULAR WEIGHT :
318.50
WISWESSER LINE NOTATION :
T56 BNJ CR& D2- AT7NTJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
167 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
FAZMAE Fortschritte der Arzneimittelforschung. Progress in Drug Research. (Birkhauser Boston, Inc., c/o Springer-Verlag New York, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1959- Volume(issue)/page/year: 6,75,1963

 Safety Information

HS Code 2933990090

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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Chemsrc provides CAS#:4509-85-7 MSDS, density, melting point, boiling point, structure, etc. Its name is 3-[2-(azepan-1-yl)ethyl]-2-phenyl-1H-indole>> amp version: 3-[2-(azepan-1-yl)ethyl]-2-phenyl-1H-indole

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