-
Name
5-[N-(tert-Butoxycarbonyl)amino]-2-Chloropyridine
- EINECS
- CAS No. 171178-45-3
- Article Data39
- CAS DataBase
- Density 1.245 g/cm3
- Solubility
- Melting Point 127-129 °C
- Formula C10H13ClN2O2
- Boiling Point 283.7 °C at 760 mmHg
- Molecular Weight 228.68
- Flash Point 125.4 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 5-Boc-Amino-2-chloropyridine;tert-Butyl 6-chloropyridin-3-ylcarbamate;
- PSA 51.22000
- LogP 3.15500
5-[N-(tert-Butoxycarbonyl)amino]-2-Chloropyridine Specification
The 5-[N-(tert-Butoxycarbonyl)amino]-2-Chloropyridine is an organic compound with the formula C10H13ClN2O2. The systematic name of this chemical is Tert-butyl (6-chloropyridin-3-yl)carbamate. With the CAS registry number 171178-45-3, it is also named as 5-Boc-Amino-2-chloropyridine. The product's category is API intermediates. Besides, its molecular weight is 228.68.
Physical properties about 5-[N-(tert-Butoxycarbonyl)amino]-2-Chloropyridine are: (1)ACD/LogP: 2.51; (2)ACD/LogD (pH 5.5): 2.51; (3)ACD/LogD (pH 7.4): 2.51; (4)ACD/BCF (pH 5.5): 47.58; (5)ACD/BCF (pH 7.4): 47.58; (6)ACD/KOC (pH 5.5): 552.44; (7)ACD/KOC (pH 7.4): 552.44; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 42.43 Å2; (12)Index of Refraction: 1.557; (13)Molar Refractivity: 59.12 cm3; (14)Molar Volume: 183.6 cm3; (15)Polarizability: 23.43×10-24 cm3; (16)Surface Tension: 44.8 dyne/cm; (17)Density: 1.245 g/cm3; (18)Flash Point: 125.4 °C; (19)Enthalpy of Vaporization: 52.27 kJ/mol; (20)Boiling Point: 283.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00311 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C10H13ClN2O2/c1-10(2,3)15-9(14)13-7-4-5-8(11)12-6-7/h4-6H,1-3H3,(H,13,14)
(2)InChIKey: IRHNQVINMHHEIO-UHFFFAOYAQ
(3)Std. InChI: InChI=1S/C10H13ClN2O2/c1-10(2,3)15-9(14)13-7-4-5-8(11)12-6-7/h4-6H,1-3H3,(H,13,14)
(4)Std. InChIKey: IRHNQVINMHHEIO-UHFFFAOYSA-N
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