CAS No.122779-41-3,Benzenemethanamine, α-methyl-2-nitro-, (R)- (9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	122779-41-3
Name:	Benzenemethanamine, α-methyl-2-nitro-, (R)- (9CI)

Formula:	C₈H₁₀N₂O₂
Molecular Weight:	166.179
Synonyms:	Benzenemethanamine,a-methyl-2-nitro-, (R)-;
Density:	1.2 g/cm³
Boiling Point:	301.359 °C at 760 mmHg
Flash Point:	136.057 °C
PSA:	71.84000
LogP:	2.83800

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Specification

The CAS register number of Benzenemethanamine, a-methyl-2-nitro-, (R)- (9CI) is 122779-41-3. It also can be called as Benzenemethanamine,a-methyl-2-nitro-, (R)- and the systematic name about this chemical is (1R)-1-(2-nitrophenyl)ethan-1-amine. The molecular formula about this chemical is C₈H₁₀N₂O₂ and the molecular weight is 166.179.

Physical properties about Benzenemethanamine, a-methyl-2-nitro-, (R)- (9CI) are: (1)ACD/LogP: 2.01; (2)ACD/LogD (pH 7.4): 1.468; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 5.694; (5)ACD/KOC (pH 5.5): 1.717; (6)ACD/KOC (pH 7.4): 84.718; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 71.84 Å²; (11)Index of Refraction: 1.577; (12)Molar Refractivity: 45.886 cm³; (13)Molar Volume: 138.518 cm³; (14)Polarizability: 18.191x10^-24cm³; (15)Surface Tension: 49.303 dyne/cm; (16)Density: 1.2 g/cm³; (17)Flash Point: 136.057 °C; (18)Enthalpy of Vaporization: 54.149 kJ/mol; (19)Boiling Point: 301.359 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@H](c1ccccc1[N+](=O)[O-])N
(2)InChI: InChI=1/C8H10N2O2/c1-6(9)7-4-2-3-5-8(7)10(11)12/h2-6H,9H2,1H3/t6-/m1/s1
(3)InChIKey: UWYAACMYPJUURZ-ZCFIWIBFBQ
(4)Std. InChI: InChI=1S/C8H10N2O2/c1-6(9)7-4-2-3-5-8(7)10(11)12/h2-6H,9H2,1H3/t6-/m1/s1
(5)Std. InChIKey: UWYAACMYPJUURZ-ZCFIWIBFSA-N