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120375-47-5

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Basic Information
CAS No.: 120375-47-5
Name: 2-phenylethanaminium nitrate
Molecular Structure:
Molecular Structure of 120375-47-5 (2-phenylethanaminium nitrate)
Formula: C8H12N2O3
Molecular Weight: 184.19488
Synonyms: 2-Phenylethylammonium nitrate;
Boiling Point: 196.5 °C at 760 mmHg
Flash Point: 90.6 °C
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Specification

The CAS register number of Phenethylazanium nitrate is 120375-47-5. The IUPAC name about this chemical is 2-phenylethylazanium nitrate. The molecular formula about this chemical is C8H12N2O3 and the molecular weight is 184.19488.

Physical properties about Phenethylazanium nitrate are: (1)ACD/LogP: 1.46; (2)ACD/LogD (pH 5.5): -1.62; (3)ACD/LogD (pH 7.4): -0.95; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Flash Point: 90.6 °C; (12)Enthalpy of Vaporization: 43.27 kJ/mol; (13)Boiling Point: 196.5 °C at 760 mmHg; (14)Vapour Pressure: 0.398 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+]([O-])=O.c1ccccc1CC[NH3+]
(2)InChI: InChI=1/C8H11N.NO3/c9-7-6-8-4-2-1-3-5-8;2-1(3)4/h1-5H,6-7,9H2;/q;-1/p+1
(3)InChIKey: YAJMFQHZVVLPEM-IKLDFBCSAD
(4)Std. InChI: InChI=1S/C8H11N.NO3/c9-7-6-8-4-2-1-3-5-8;2-1(3)4/h1-5H,6-7,9H2;/q;-1/p+1
(5)Std. InChIKey: YAJMFQHZVVLPEM-UHFFFAOYSA-O