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| CAS No.: | 63450-84-0 |
|---|---|
| Name: | Methyl 4-aminobenzoate hydrochloride |
| Article Data: | 21 |
| Molecular Structure: | |
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| Formula: | C8H10ClNO2 |
| Molecular Weight: | 187.626 |
| Synonyms: | Benzoicacid, 4-amino-, methyl ester, hydrochloride (9CI);Methyl p-aminobenzoatehydrochloride;Benzoic acid, 4-amino-,methyl ester, hydrochloride (1:1); |
| EINECS: | 264-184-6 |
| Density: | 1.166g/cm3 |
| Melting Point: | 208 °C |
| Boiling Point: | 299.2 °C at 760 mmHg |
| Flash Point: | 154.9 °C |
| PSA: | 52.32000 |
| LogP: | 2.43860 |
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- Total:16 Page 1 of 1 1
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Specification
The Methyl 4-aminobenzoate hydrochloride, with the CAS registry number 63450-84-0, is also known as Benzoic acid, 4-amino-,methyl ester, hydrochloride (1:1). Its EINECS registry number is 264-184-6. This chemical's molecular formula is C8H10ClNO2 and molecular weight is 187.62. What's more, its IUPAC name is Methyl 4-aminobenzoate hydrochloride.
Physical properties about Methyl 4-aminobenzoate hydrochloride are: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.41; (4)ACD/LogD (pH 7.4): 1.41; (5)ACD/BCF (pH 5.5): 6.99; (6)ACD/BCF (pH 7.4): 6.99; (7)ACD/KOC (pH 5.5): 139.88; (8)ACD/KOC (pH 7.4): 140.01; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Flash Point: 154.9 °C; (14)Enthalpy of Vaporization: 53.92 kJ/mol; (15)Boiling Point: 299.2 °C at 760 mmHg; (16)Vapour Pressure: 0.00121 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)c1ccc(N)cc1.Cl
(2) InChI: InChI=1/C8H9NO2.ClH/c1-11-8(10)6-2-4-7(9)5-3-6;/h2-5H,9H2,1H3;1H
(3) InChIKey: UMLFQRYMOHDCCK-UHFFFAOYAI