Chemical Name: rac Cotinine-d3
Molecular Formula: C10H12N2O
Molecular Weight: 179.23
InChI Key: UIKROCXWUNQSPJ-FIBGUPNXSA-N
InChI: InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/i1D3

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Symbol:	Danger
FW:	179.234
Density:	1.1±0.1 g/cm3
CAS:	110952-70-0
Bolling_Point:	316.0±0.0 °C at 760 mmHg
Product_Name:	Cotinine-d3
Melting_Point:	40-42ºC(lit.)
Flash_Point:	166.7±25.9 °C
MF:	C10H9D3N2O

Molecular_Structure:	['1. Molar refractive index 4938 ', '2. Molar volume 1536 ', '3. Parachor （902K）3994 ', '4. Surface tension 456 ', '5. Dielectric constant N/A ', '6. Polarizability 1957 ', '7. Single isotope mass 179113793 Da ', '8. Nominal mass 179 Da ', '9. Average mass 1792336 Da']
Flash_Point:	166.7±25.9 °C
Refractive_Index:	1.556
FW:	179.234
Density:	1.1±0.1 g/cm3
Bolling_Point:	316.0±0.0 °C at 760 mmHg
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :2 ', '6. TPSA 332 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :205 ', '10. Isotope Atom Count :3 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
LogP:	-0.23
Melting_Point:	40-42ºC(lit.)
PSA:	33.20000
MF:	C10H9D3N2O
More_Info:	['1 . Appearance Solid ', '2 . Density（g/mL,25ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）40-42 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，150mmHg）250 ', '7 . Refractive indexUnknow ', '8 . Flash point（°C）Unknow ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,110ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
Vapor_Pressure:	0.0±0.6 mmHg at 25°C
Exact_Mass:	179.113800

Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Gloves
Hazard_Codes:	Xn: Harmful;
Risk_Statements(EU):	22-36/37/38
Safety_Statements:	26
Symbol:	Danger
RIDADR:	UN1230 - class 3 - PG 2 - Methanol, solution
Warning_Statement:	P210-P260-P280-P301 + P310-P311