3-(azepan-1-yl)-1-(4-propoxyphenyl)propan-1-one

Modify Date: 2024-02-04 20:37:03

3-(azepan-1-yl)-1-(4-propoxyphenyl)propan-1-one Structure
3-(azepan-1-yl)-1-(4-propoxyphenyl)propan-1-one structure
Common Name 3-(azepan-1-yl)-1-(4-propoxyphenyl)propan-1-one
CAS Number 16689-12-6 Molecular Weight 289.41200
Density 1.012g/cm3 Boiling Point 426.2ºC at 760 mmHg
Molecular Formula C18H27NO2 Melting Point N/A
MSDS N/A Flash Point 211.6ºC

 Names

Name 3-(azepan-1-yl)-1-(4-propoxyphenyl)propan-1-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.012g/cm3
Boiling Point 426.2ºC at 760 mmHg
Molecular Formula C18H27NO2
Molecular Weight 289.41200
Flash Point 211.6ºC
Exact Mass 289.20400
PSA 29.54000
LogP 3.86210
Vapour Pressure 1.8E-07mmHg at 25°C
Index of Refraction 1.514

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UH1856000
CHEMICAL NAME :
Propiophenone, 3-(hexahydro-1H-azepin-1-yl)-4'-propoxy-
CAS REGISTRY NUMBER :
16689-12-6
BEILSTEIN REFERENCE NO. :
0224069
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C18-H27-N-O2
MOLECULAR WEIGHT :
289.46
WISWESSER LINE NOTATION :
T7NTJ A2VR DO3

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 :
62 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 36,10,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
69500 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 27,186,1964

 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%

 Synonyms

Hexacaine
TG-16
N-Hexamethyleneimino-p-propoxypropiophenone