butyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate

Names

[ CAS No. ]:
5497-45-0

[ Name ]:
butyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate

[Synonym ]:
Arecaidin-n-butylester
1-methyl-1,2,5,6-tetrahydro-pyridine-3-carboxylic acid butyl ester
NICOTINIC ACID,1,2,5,6-TETRAHYDRO-1-METHYL-,BUTYL ESTER
n-Butyl-1-methyl-1,2,5,6-tetrahydronicotinate
1-Methyl-1,2,5,6-tetrahydronicotinsaeure-butylester
1-Methyl-1,2,5,6-tetrahydro-pyridin-3-carbonsaeure-butylester

Chemical & Physical Properties

[ Density]:
1.006g/cm3

[ Boiling Point ]:
266.3ºC at 760 mmHg

[ Molecular Formula ]:
C11H19NO2

[ Molecular Weight ]:
197.27400

[ Flash Point ]:
94.6ºC

[ Exact Mass ]:
197.14200

[ PSA ]:
29.54000

[ LogP ]:
1.52950

[ Index of Refraction ]:
1.481

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QT2080000
CHEMICAL NAME :
Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, butyl ester
CAS REGISTRY NUMBER :
5497-45-0
BEILSTEIN REFERENCE NO. :
0136369
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H19-N-O2
MOLECULAR WEIGHT :
197.31
WISWESSER LINE NOTATION :
T6N CUTJ A1 CVO4

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 :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#12548

Safety Information

[ HS Code ]:
2933399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Arecaidine
  • Butanol

DownStream

Customs

[ HS Code ]: 2933399090

[ Summary ]:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • 6-(4-(Benzylsulfonyl)piperazin-1-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • N-(3-chloro-4-methylphenyl)-2-(9-fluoro-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)acetamide