L-ABRINE

Catalog No: FT-0632295

CAS No: 526-31-8

Chemical Name: L-ABRINE
Molecular Formula: C12H14N2O2
Molecular Weight: 218.25 g/mol
InChI Key: CZCIKBSVHDNIDH-NSHDSACASA-N
InChI: InChI=1S/C12H14N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3,(H,15,16)/t11-/m0/s1

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:	Warning
FW:	218.252
Density:	1.3±0.1 g/cm3
CAS:	526-31-8
Bolling_Point:	439.1±35.0 °C at 760 mmHg
Product_Name:	L-(+)-Abrine
Melting_Point:	>300 °C (dec.)(lit.)
Flash_Point:	219.4±25.9 °C
MF:	C12H14N2O2

Molecular_Structure:	['1 . Molar refractive index 6246 ', '2 . Molar volume （m3/mol）1715 ', '3 . Parachor （902K）4740 ', '4 . Surface tension 583 ', '5 . Polarizability （10 -24cm 3）2476']
Flash_Point:	219.4±25.9 °C
Refractive_Index:	1.649
FW:	218.252
Density:	1.3±0.1 g/cm3
Bolling_Point:	439.1±35.0 °C at 760 mmHg
Computational_Chemistry:	['1 . XlogP -05 ', '2 . Hydrogen Bond Donor Count 3 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 4 ', '5 . Isotope Atom Count ', '6 . TPSA 651 ', '7 . Heavy Atom Count 16 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 257 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 1 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
LogP:	1.18
Melting_Point:	>300 °C (dec.)(lit.)
PSA:	65.12000
MF:	C12H14N2O2
More_Info:	['1 . Appearance Colourless 棱形结晶。 ', '2 . Density（g/mL,25/4℃） Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）295（分解） ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º，C=28, 05 mol/L盐酸中）444 ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）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 1g Soluble in 约 100ml 甲醇， Soluble in 稀酸and 碱，微Soluble in Water ，Insoluble in Ethyl ether 。']
Vapor_Pressure:	0.0±1.1 mmHg at 25°C
Exact_Mass:	218.105530

Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Gloves
Hazard_Codes:	Xn: Harmful;
Risk_Statements(EU):	R20/21/22
Safety_Statements:	S36
Symbol:	Warning
Warning_Statement:	P280
RIDADR:	NONH for all modes of transport
HS_Code:	2933990090
WGK_Germany:	3