1-adamanTYLMETHYL NICOTINATE

Modify Date: 2025-12-02 11:12:56

1-adamanTYLMETHYL NICOTINATE Structure
1-adamanTYLMETHYL NICOTINATE structure
 Common Name 1-adamanTYLMETHYL NICOTINATE
CAS Number 24813-27-2 Molecular Weight 271.35400
Density 1.175g/cm3 Boiling Point 380.6ºC at 760mmHg
Molecular Formula C17H21NO2 Melting Point N/A
MSDS N/A Flash Point 184ºC

 Names

Name 1-adamantylmethyl pyridine-3-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.175g/cm3
Boiling Point 380.6ºC at 760mmHg
Molecular Formula C17H21NO2
Molecular Weight 271.35400
Flash Point 184ºC
Exact Mass 271.15700
PSA 39.19000
LogP 3.45480
Vapour Pressure 5.38E-06mmHg at 25°C
Index of Refraction 1.574
InChIKey UUEREIOEDCBBID-UHFFFAOYSA-N
SMILES O=C(OCC12CC3CC(CC(C3)C1)C2)c1cccnc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QT0655000
CHEMICAL NAME :
Nicotinic acid, 1-adamantylmethyl ester
CAS REGISTRY NUMBER :
24813-27-2
BEILSTEIN REFERENCE NO. :
0405297
LAST UPDATED :
199803
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H21-N-O2
MOLECULAR WEIGHT :
271.39
WISWESSER LINE NOTATION :
L66 B6/B-H/DI A B- C 1B ITJ B1OV- CT6NJ

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 :
500 mg/kg
TOXIC EFFECTS :
Immunological Including Allergic - increased immune response Biochemical - Metabolism (Intermediary) - effect on inflammation or mediation of inflammation
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 11,795,1977

 Synonyms

nicotinic acid adamantan-1-ylmethyl ester
1-Admantylmethyl nicotinate
Nicotinic acid,1-adamantylmethyl ester
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