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CAS No.: | 61032-42-6 |
---|---|
Name: | Methyl 2-amino-4-benzyloxy-5-methoxybenzoate |
Article Data: | 24 |
Molecular Structure: | |
Formula: | C16H17NO4 |
Molecular Weight: | 287.315 |
Synonyms: | methyl 2-amino-5-methoxy-4-phenylmethoxybenzoate; |
Density: | 1.206 g/cm3 |
Melting Point: | 131-132℃ |
Boiling Point: | 450.038 °C at 760 mmHg |
Flash Point: | 199.203 °C |
PSA: | 70.78000 |
LogP: | 3.22420 |
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This chemical is called Methyl 2-amino-4-benzyloxy-5-methoxybenzoate, and its CAS registry number is 61032-42-6. With the molecular formula of C16H17NO4, its molecular weight is 287.31.
Other characteristics of the Methyl 2-amino-4-benzyloxy-5-methoxybenzoate can be summarised as followings: (1)ACD/LogP: 3.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 241; (6)ACD/BCF (pH 7.4): 241; (7)ACD/KOC (pH 5.5): 1763; (8)ACD/KOC (pH 7.4): 1764; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 70.78 Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 80.107 cm3; (15)Molar Volume: 238.313 cm3; (16)Polarizability: 31.757×10-24cm3; (17)Surface Tension: 46.838 dyne/cm; (18)Density: 1.206 g/cm3; (19)Flash Point: 199.203 °C; (20)Enthalpy of Vaporization: 70.883 kJ/mol; (21)Boiling Point: 450.038 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: COC(=O)c2cc(OC)c(OCc1ccccc1)cc2N
2.InChI: InChI=1/C16H17NO4/c1-19-14-8-12(16(18)20-2)13(17)9-15(14)21-10-11-6-4-3-5-7-11/h3-9H,10,17H2,1-2H3
3.InChIKey: CKHQUPXMMAOBTC-UHFFFAOYAY