-
Name
4-Bocamino-nicotinic acid
- EINECS
- CAS No. 171178-34-0
- Article Data10
- CAS DataBase
- Density 1.293 g/cm3
- Solubility
- Melting Point
- Formula C11H14N2O4
- Boiling Point 348.358 °C at 760 mmHg
- Molecular Weight 238.24
- Flash Point 164.482 °C
- Transport Information
- Appearance
- Safety 36/37
- Risk Codes 43
-
Molecular Structure
- Hazard Symbols Xi
- Synonyms 4-BOCAMINO-NICOTINIC ACID;4-TERT-BUTOXYCARBONYLAMINO-NICOTINIC ACID;4-{[(tert-butoxy)carbonyl]aMino}pyridine-3-carboxylic acid
- PSA 88.52000
- LogP 2.19980
4-[(tert-Butoxycarbonyl)amino]nicotinic acid Specification
The 4-Bocamino-nicotinic acid is an organic compound with the formula C11H14N2O4. The systematic name of this chemical is 4-[(Tert-butoxycarbonyl)amino]pyridine-3-carboxylic acid. With the CAS registry number 171178-34-0, it is also named as 3-Pyridinecarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-. Besides, its molecular weight is 238.24.
Physical properties about 4-Bocamino-nicotinic acid are: (1)ACD/LogP: 2.14; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 88.52 Å2; (10)Index of Refraction: 1.578; (11)Molar Refractivity: 61.156 cm3; (12)Molar Volume: 184.2 cm3; (13)Polarizability: 24.244×10-24 cm3; (14)Surface Tension: 54.902 dyne/cm; (15)Density: 1.293 g/cm3; (16)Flash Point: 164.482 °C; (17)Enthalpy of Vaporization: 62.552 kJ/mol; (18)Boiling Point: 348.358 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C11H14N2O4/c1-11(2,3)17-10(16)13-8-4-5-12-6-7(8)9(14)15/h4-6H,1-3H3,(H,14,15)(H,12,13,16)
(2)InChIKey: FRZDXLXQZVISAQ-UHFFFAOYAE
(3)Std. InChI: InChI=1S/C11H14N2O4/c1-11(2,3)17-10(16)13-8-4-5-12-6-7(8)9(14)15/h4-6H,1-3H3,(H,14,15)(H,12,13,16)
(4)Std. InChIKey: FRZDXLXQZVISAQ-UHFFFAOYSA-N
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