3-HYDROXYPROPYLNICOTINATE

Modify Date: 2024-03-08 18:00:12

3-HYDROXYPROPYLNICOTINATE Structure
3-HYDROXYPROPYLNICOTINATE structure
 Common Name 3-HYDROXYPROPYLNICOTINATE
CAS Number 101952-65-2 Molecular Weight 181.18900
Density 1.199g/cm3 Boiling Point 325.3ºC at 760mmHg
Molecular Formula C9H11NO3 Melting Point N/A
MSDS N/A Flash Point 150.5ºC

 Names

Name 3-hydroxypropyl pyridine-3-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.199g/cm3
Boiling Point 325.3ºC at 760mmHg
Molecular Formula C9H11NO3
Molecular Weight 181.18900
Flash Point 150.5ºC
Exact Mass 181.07400
PSA 59.42000
LogP 0.62080
Vapour Pressure 9.5E-05mmHg at 25°C
Index of Refraction 1.533
InChIKey OVVPXBCSMMGCTP-UHFFFAOYSA-N
SMILES O=C(OCCCO)c1cccnc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QT1795000
CHEMICAL NAME :
Nicotinic acid, 3-hydroxypropyl ester
CAS REGISTRY NUMBER :
101952-65-2
BEILSTEIN REFERENCE NO. :
0143338
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H11-N-O3
MOLECULAR WEIGHT :
181.21
WISWESSER LINE NOTATION :
T6NJ CVO3Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
12 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 11,242,1956

 Synonyms

NICOTINIC ACID,3-HYDROXYPROPYL ESTER
3-Hydroxypropyl nicotinate
3-Pyridinecarboxylicacid,3-hydroxypropyl ester
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