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405939-28-8

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Basic Information
CAS No.: 405939-28-8
Name: (4-IODO-PYRIDIN-2-YL)-CARBAMIC ACID TERT-BUTYL ESTER
Article Data: 6
Molecular Structure:
Molecular Structure of 405939-28-8 ((4-IODO-PYRIDIN-2-YL)-CARBAMIC ACID TERT-BUTYL ESTER)
Formula: C10H13IN2O2
Molecular Weight: 320.13
Synonyms: Carbamic acid, (4-iodo-2-pyridinyl)-, 1,1-dimethylethylester (9CI);2-tert-Butoxycarbonylamino-4-iodopyridine;
Density: 1.652 g/cm3
Melting Point: 158-158.5°C
Boiling Point: 321 °C at 760 mmHg
Flash Point: 147.9 °C
Hazard Symbols: Xi,Xn
Risk Codes: 22
PSA: 51.22000
LogP: 3.10620
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Specification

This chemical is called tert-Butyl (4-iodopyridin-2-yl)carbamate, and it's also named as 2-Boc-amino-4-iodopyridine. With the molecular formula of C10H13IN2O2, its molecular weight is 320.13. The CAS registry number of this chemical is 405939-28-8. Additionally, its product category is Pharmacetical.

Other characteristics of the tert-Butyl (4-iodopyridin-2-yl)carbamate can be summarised as followings: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 2.97; (5)ACD/BCF (pH 5.5): 105.58; (6)ACD/BCF (pH 7.4): 105.91; (7)ACD/KOC (pH 5.5): 976.59; (8)ACD/KOC (pH 7.4): 979.6; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.43 Å2; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 67.13 cm3; (15)Molar Volume: 193.7 cm3; (16)Polarizability: 26.61×10-24cm3; (17)Surface Tension: 49.8 dyne/cm; (18)Density: 1.652 g/cm3; (19)Flash Point: 147.9 °C; (20)Enthalpy of Vaporization: 56.27 kJ/mol; (21)Boiling Point: 321 °C at 760 mmHg; (22)Vapour Pressure: 0.000307 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(OC(C)(C)C)Nc1nccc(I)c1
2.InChI: InChI=1/C10H13IN2O2/c1-10(2,3)15-9(14)13-8-6-7(11)4-5-12-8/h4-6H,1-3H3,(H,12,13,14)
3.InChIKey: TTYADBPTZJSAMH-UHFFFAOYAK