(2-Formylpyridin-3-yl)carbamic acid tert-butyl ester supplier

Name
(2-FORMYL-PYRIDIN-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER
EINECS
CAS No. 116026-99-4
Article Data7
CAS DataBase
Density 1.212 g/cm³
Solubility
Melting Point 79.4-79.6 °C
Formula C₁₁H₁₄N₂O₃
Boiling Point 294.957 °C at 760 mmHg
Molecular Weight 222.244
Flash Point 132.186 °C
Transport Information
Appearance White to off-white powder
Safety 26-36/37-36
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms Carbamicacid, (2-formyl-3-pyridinyl)-, 1,1-dimethylethyl ester (9CI);(2-Formylpyridin-3-yl)carbamic acid tert-butyl ester;3-(tert-Butoxycarbonylamino)-2-pyridinecarboxaldehyde;tert-Butyl(2-formylpyridin-3-yl)carbamate;
PSA 68.29000
LogP 2.31410

(2-Formylpyridin-3-yl)carbamic acid tert-butyl ester Specification

This chemical is called (2-Formylpyridin-3-yl)carbamic acid tert-butyl ester, and its systematic name is tert-butyl (2-formylpyridin-3-yl)carbamate. With the molecular formula of C₁₁H₁₄N₂O₃, its molecular weight is 222.24. The CAS registry number of this chemical is 116026-99-4. Additionally, its product category is Pharmacetical.

Other characteristics of the (2-Formylpyridin-3-yl)carbamic acid tert-butyl ester can be summarised as followings: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 21; (6)ACD/BCF (pH 7.4): 22; (7)ACD/KOC (pH 5.5): 311; (8)ACD/KOC (pH 7.4): 317; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 68.29 Å²; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 60.978 cm³; (15)Molar Volume: 183.337 cm³; (16)Polarizability: 24.174×10^-24cm³; (17)Surface Tension: 48.706 dyne/cm; (18)Density: 1.212 g/cm³; (19)Flash Point: 132.186 °C; (20)Enthalpy of Vaporization: 53.463 kJ/mol; (21)Boiling Point: 294.957 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=Cc1ncccc1NC(=O)OC(C)(C)C
2.InChI: InChI=1/C11H14N2O3/c1-11(2,3)16-10(15)13-8-5-4-6-12-9(8)7-14/h4-7H,1-3H3,(H,13,15)
3.InChIKey: AHTZIHDCJWVLKK-UHFFFAOYAP

Product Name

(2-FORMYL-PYRIDIN-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER

(2-Formylpyridin-3-yl)carbamic acid tert-butyl ester Specification

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