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Keywords
Benzenacetic acid alpha-Toluic acid Ammonium phenyl acetate
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- Application:The systematic name of this chemical is ammonium phenylacetate. With the CAS registry number 7188-16-1 and EINECS 230-551-4, it is also named as Benzeneacetic acid, ammonium salt (1:1). In addition, t
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- Transportation:The systematic name of this chemical is ammonium phenylacetate. With the CAS registry number 7188-16-1 and EINECS 230-551-4, it is also named as Benzeneacetic acid, ammonium salt (1:1). In addition, t
Superiority:
The systematic name of this chemical is ammonium phenylacetate. With the CAS registry number 7188-16-1 and EINECS 230-551-4, it is also named as Benzeneacetic acid, ammonium salt (1:1). In addition, the formula is C8H11NO2 and the molecular weight is 153.1784.
The other characteristics of Ammonium phenyl acetate can be summarized as: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.28; (4)ACD/LogD (pH 7.4): -1.51; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.26; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.3 Å2; (13)Flash Point: 156.2 °C; (14)Enthalpy of Vaporization: 53.18 kJ/mol; (15)Boiling Point: 265.5 °C at 760 mmHg; (16)Vapour Pressure: 0.00456 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C([O-])Cc1ccccc1.[NH4+]
2. InChI:InChI=1/C8H8O2.H3N/c9-8(10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);1H3
3. InChIKey:PQILKFQDIYPBKI-UHFFFAOYAB
4. Std. InChI:InChI=1S/C8H8O2.H3N/c9-8(10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);1H3
5. Std. InChIKey:PQILKFQDIYPBKI-UHFFFAOYSA-N
Details:
The systematic name of this chemical is ammonium phenylacetate. With the CAS registry number 7188-16-1 and EINECS 230-551-4, it is also named as Benzeneacetic acid, ammonium salt (1:1). In addition, the formula is C8H11NO2 and the molecular weight is 153.1784.
The other characteristics of Ammonium phenyl acetate can be summarized as: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.28; (4)ACD/LogD (pH 7.4): -1.51; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.26; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.3 Å2; (13)Flash Point: 156.2 °C; (14)Enthalpy of Vaporization: 53.18 kJ/mol; (15)Boiling Point: 265.5 °C at 760 mmHg; (16)Vapour Pressure: 0.00456 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C([O-])Cc1ccccc1.[NH4+]
2. InChI:InChI=1/C8H8O2.H3N/c9-8(10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);1H3
3. InChIKey:PQILKFQDIYPBKI-UHFFFAOYAB
4. Std. InChI:InChI=1S/C8H8O2.H3N/c9-8(10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);1H3
5. Std. InChIKey:PQILKFQDIYPBKI-UHFFFAOYSA-N
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