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| CAS No.: | 36052-25-2 |
|---|---|
| Name: | 5-AMINO-NICOTINIC ACID METHYL ESTER |
| Molecular Structure: | |
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| Formula: | C7H8N2O2 |
| Molecular Weight: | 152.153 |
| Synonyms: | 3-Amino-5-(methoxycarbonyl)pyridine;5-Aminonicotinic acid methyl ester; |
| Density: | 1.239 g/cm3 |
| Melting Point: | 135-137 °C |
| Boiling Point: | 319.4 °C at 760 mmHg |
| Flash Point: | 147 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26 |
| PSA: | 65.21000 |
| LogP: | 1.03160 |
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Specification
The CAS registry number of 3-Pyridinecarboxylicacid, 5-amino-, methyl ester is 36052-25-2. In addition, the molecular formula is C7H8N2O2 and the molecular weight is 152.15. The IUPAC name is methyl 5-aminopyridine-3-carboxylate. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about 3-Pyridinecarboxylicacid, 5-amino-, methyl ester are: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.22; (4)ACD/LogD (pH 7.4): 0.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.73; (8)ACD/KOC (pH 7.4): 32.01; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 42.43 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 40.35 cm3; (15)Molar Volume: 122.8 cm3; (16)Polarizability: 15.99×10-24cm3; (17)Surface Tension: 53.4 dyne/cm; (18)Density: 1.238 g/cm3; (19)Flash Point: 147 °C; (20)Enthalpy of Vaporization: 56.1 kJ/mol; (21)Boiling Point: 319.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000339 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC)c1cncc(N)c1
(2)InChI: InChI=1/C7H8N2O2/c1-11-7(10)5-2-6(8)4-9-3-5/h2-4H,8H2,1H3
(3)InChIKey: MBGSRKHDEJNWED-UHFFFAOYAQ