Molecular Formula: 336.4
Formula Weight: C17H38BrN
Inchl Key: CXRFDZFCGOPDTD-UHFFFAOYSA-M
Inchl: InChI=1S/C17H38N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Symbol:	Danger
FW:	336.394
Density:	N/A
CAS:	1119-97-7
Bolling_Point:	N/A
Product_Name:	Cetrimide
Melting_Point:	245-250 °C(lit.)
Flash_Point:	N/A
MF:	C17H38BrN

Molecular_Structure:	['1. Molar refractive index N/A ', '2. Molar volume N/A ', '3. Parachor （902K）N/A ', '4. Surface tension N/A ', '5. Dielectric constant N/A ', '6. Polarizability N/A ', '7. Single isotope mass 335218755 Da ', '8. Nominal mass 335 Da ', '9. Average mass 3363943 Da']
Water_Solubility:	20 g/100 mL
FW:	336.394
Computational_Chemistry:	['1 . XlogP 7 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 0 ', '4 . Rotatable Bond Count 13 ', '5 . TPSA 0 ', '6 . Heavy Atom Count 18 ', '7 . Topological Polar Surface Area 1 ', '8 . Complexity 158 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
LogP:	6.35180
Melting_Point:	245-250 °C(lit.)
MF:	C17H38BrN
More_Info:	['1 . Appearance White 粉末or 结晶体。 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）245-250 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,07mmHg）Unknow ', '7 . Refractive index(n 20/D) Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）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 Soluble in Water ，20g/100mL']
Exact_Mass:	335.218750

Hazard_Codes:	C:Corrosive
Target_Organ:	Gastrointestinal tract
Symbol:	Danger
Warning_Statement:	P260-P280-P301 + P312 + P330-P305 + P351 + P338 + P310
HS_Code:	2923900090
Personal_Protective_Equipment:	Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
RTECS:	BS5776000
Risk_Statements(EU):	R34
Safety_Statements:	S26-S36/37/39-S45
RIDADR:	UN 3263 8/PG 2
WGK_Germany:	3