Home Categories Analytical Chemistry 4-(N-nitrosomethylamino)-1-(3-pyridyl)-1-butanone
BD3026957

4-(N-nitrosomethylamino)-1-(3-pyridyl)-1-butanone , 98% , 64091-91-4

Synonym(s):
4-(Methylnitrosamino)-1-(3-pyridinyl)-1-butanone;4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone;NNK

CAS NO.:64091-91-4

Empirical Formula: C10H13N3O2

Molecular Weight: 207.23

MDL number: MFCD00274580

Pack Size Price Stock Quantity
100mg RMB225.60 In Stock
250mg RMB383.20 In Stock
1g RMB1033.60 In Stock
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Update time: 2022-07-08

PRODUCT Properties

Melting point: 63-65°C
Boiling point: 346.25°C (rough estimate)
Density  1.1933 (rough estimate)
refractive index  1.4830 (estimate)
Flash point: 9℃
storage temp.  Amber Vial, -20°C Freezer
solubility  DMF: 30 mg/ml, DMSO: 25 mg/ml, Ethanol: 25 mg/ml,
form  Solid
pka 3.19±0.10(Predicted)
color  White to light yellow
BRN  3548355
Stability: Stable. Incompatible with strong oxidizing agents.
InChI InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3
InChIKey FLAQQSHRLBFIEZ-UHFFFAOYSA-N
SMILES C(C1=CC=CN=C1)(=O)CCCN(C)N=O

Description and Uses

This compound was present in the highest concentrations in smokeless tobacco out of the nitrosamines identified. Readily produces cancer in rats and hamsters

Safety

Symbol(GHS) 
GHS06,GHS08
Signal word  Danger
Hazard statements  H301-H317-H351
Precautionary statements  P201-P280-P301+P310+P330-P302+P352
Hazard Codes  Xn,T,F
Risk Statements  26/27/28-45-43-40-22-39/23/24/25-23/24/25-11
Safety Statements  45-53-36/37-16
RIDADR  2811
WGK Germany  3
RTECS  OB6465000
HazardClass  6.1
PackingGroup  II
HS Code  38220090
Toxicity LD50 intraperitoneal in mouse: 1gm/kg

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