2820-55-5

2820-55-5 structure

Name: (2'S)-Nicotine 1-Oxide
Chemical Name: (2'S)-Nicotine 1-Oxide
CAS Number: 2820-55-5
Molecular Formula: C₁₀H₁₄N₂O
Molecular Weight: 178.23100
Create Date: 2018-06-11 13:19:46
Modify Date: 2025-08-25 17:37:06

Name	(2'S)-Nicotine 1-Oxide
Synonyms	1-chloroacetyl-L-proline N-chloroacetyl-L-proline nicotine N-oxide nicotine nitrogen oxide

Density	1.15g/cm3
Boiling Point	347.9ºC at 760mmHg
Molecular Formula	C₁₀H₁₄N₂O
Molecular Weight	178.23100
Flash Point	164.2ºC
Exact Mass	178.11100
PSA	28.70000
LogP	1.81970
Vapour Pressure	5.22E-05mmHg at 25°C
Index of Refraction	1.589

CHEMICAL IDENTIFICATION

RTECS NUMBER :: QS9604000

CHEMICAL NAME :: Nicotine, 1-oxide

CAS REGISTRY NUMBER :: 2820-55-5

LAST UPDATED :: 199612

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C10-H14-N2-O

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 295 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - dyspnea

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: 24,534,1961

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 295 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - dyspnea

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: 24,534,1961

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 24100 ug/kg

TOXIC EFFECTS :: Behavioral - tremor Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - dyspnea

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: 24,534,1961

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Amphibian - frog

DOSE/DURATION :: 750 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,1011,1961

HS Code	2933990090

2055-29-0

~95%

2820-55-5

Literature: Kokatla, Hari Prasad; Thomson, Paul F.; Bae, Suyeal; Doddi, Venkata Ramana; Lakshman, Mahesh K. Journal of Organic Chemistry, 2011 , vol. 76, # 19 p. 7842 - 7848

2055-29-0

~31%

2820-55-5

54-11-5

Literature: Takeshita, Mitsuhiro; Yoshida, Sachiko Heterocycles, 1990 , vol. 30, # 2 p. 871 - 874

54-11-5

2820-55-5

Literature: Schmidt, Boris; Neitemeier, Vera Synthesis, 1998 , # 1 p. 42 - 44

Precursor 2
2055-29-0 54-11-5
DownStream 5
36508-80-2 13270-56-9 77698-47-6 101540-79-8
64114-31-4

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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