Molecular Formula: 131.17
Formula Weight: C6H13NO2
Inchl Key: AGPKZVBTJJNPAG-CRCLSJGQSA-N
Inchl: InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m0/s1

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

Bolling_Point:	225.8±23.0 °C at 760 mmHg
MF:	C6H13NO2
Density:	1.0±0.1 g/cm3
FW:	131.173
Product_Name:	D-allo-Isoleucine
CAS:	1509-35-9
Flash_Point:	90.3±22.6 °C
Melting_Point:	291 °C (dec.)(lit.)

Bolling_Point:	225.8±23.0 °C at 760 mmHg
LogP:	0.73
More_Info:	['1 . Appearance White 叶片状结晶。 ', '2 . Density（g/mL,25/4℃） Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）274-275（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=1，Water 中）-159 ', '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 Soluble in Water ，微Soluble in Ethanol ，Insoluble in Ethyl ether 。']
Computational_Chemistry:	['1 . XlogP -17 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 3 ', '5 . TPSA 633 ', '6 . Heavy Atom Count 9 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 103 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 2 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
Melting_Point:	291 °C (dec.)(lit.)
Vapor_Pressure:	0.0±0.9 mmHg at 25°C
Exact_Mass:	131.094635
MF:	C6H13NO2
Density:	1.0±0.1 g/cm3
Refractive_Index:	1.463
PSA:	63.32000
Flash_Point:	90.3±22.6 °C
Molecular_Structure:	['1 . Molar refractive index 3486 ', '2 . Molar volume （m3/mol）1266 ', '3 . Parachor （902K）3164 ', '4 . Surface tension : 390 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10 -24cm 3）无可用 ', '7 . Polarizability 1382']
FW:	131.173

Safety_Statements:	S24/25
HS_Code:	2922499990
WGK_Germany:	3
Personal_Protective_Equipment:	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
RTECS:	BA2930000
RIDADR:	NONH for all modes of transport
Risk_Statements(EU):	R36/37/38
Hazard_Codes:	Xi: Irritant;