4-amino-3,5-dimethyl-benzoic acid supplier

Name
4-amino-3,5-dimethyl-benzoic acid
EINECS
CAS No. 4919-40-8
Article Data7
CAS DataBase
Density 1.207 g/cm³
Solubility
Melting Point 251-252℃
Formula C₉H₁₁NO₂
Boiling Point 342.5 °C at 760 mmHg
Molecular Weight 165.192
Flash Point 161 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,5-Dimethyl-4-aminobenzoic acid;4-Amino-3,5-dimethylbenzoic acid;NSC 38033;
PSA 63.32000
LogP 2.16500

4-amino-3,5-dimethyl-benzoic acid Specification

The 4-amino-3,5-dimethyl-benzoic acid, with the CAS registry number 4919-40-8, is also known as 3,5-Dimethyl-4-aminobenzoic acid. This chemical's molecular formula is C₉H₁₁NO₂ and molecular weight is 165.19. What's more, its systematic name is 4-Amino-3,5-dimethylbenzoic acid.

Physical properties of 4-amino-3,5-dimethyl-benzoic acid are: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.14; (4)ACD/BCF (pH 5.5): 3.08; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 52.08; (7)ACD/KOC (pH 7.4): 1.02; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 29.54 Å²; (12)Index of Refraction: 1.604; (13)Molar Refractivity: 47.06 cm³; (14)Molar Volume: 136.7 cm³; (15)Polarizability: 18.65×10^-24cm³; (16)Surface Tension: 53.8 dyne/cm; (17)Density: 1.207 g/cm³; (18)Flash Point: 161 °C; (19)Enthalpy of Vaporization: 61.88 kJ/mol; (20)Boiling Point: 342.5 °C at 760 mmHg; (21)Vapour Pressure: 2.87E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(c(N)c(c1)C)C
(2)InChI: InChI=1/C9H11NO2/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4H,10H2,1-2H3,(H,11,12)
(3)InChIKey: NZEOOPXCKUWJDQ-UHFFFAOYSA-N

Product Name

4-amino-3,5-dimethyl-benzoic acid

4-amino-3,5-dimethyl-benzoic acid Specification

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