2-N-Boc-amino-3-formylpyridine supplier

Name
2-N-Boc-amino-3-formylpyridine
EINECS
CAS No. 116026-94-9
Article Data5
CAS DataBase
Density 1.212 g/cm³
Solubility
Melting Point 109-111 °C
Formula C₁₁H₁₄N₂O₃
Boiling Point 310 °C at 760 mmHg
Molecular Weight 222.244
Flash Point 141.3 °C
Transport Information
Appearance White to off-white powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Carbamicacid, (3-formyl-2-pyridinyl)-, 1,1-dimethylethyl ester (9CI);(3-Formylpyridin-2-yl)carbamic acid tert-butyl ester;carbamic acid, N-(3-formyl-2-pyridinyl)-, 1,1-dimethylethyl ester;tert-Butyl (3-formylpyridin-2-yl)carbamate;
PSA 68.29000
LogP 2.31410

2-N-Boc-amino-3-formylpyridine Specification

The 2-N-Boc-amino-3-formylpyridine, with the CAS registry number 116026-94-9, has the systematic name of tert-butyl (3-formylpyridin-2-yl)carbamate. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C₁₁H₁₄N₂O₃.

The physical properties of 2-N-Boc-amino-3-formylpyridine are as followings: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/LogD (pH 7.4): 2.34; (5)ACD/BCF (pH 5.5): 35.21; (6)ACD/BCF (pH 7.4): 35.25; (7)ACD/KOC (pH 5.5): 445.21; (8)ACD/KOC (pH 7.4): 445.72; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 68.29 Å²; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 60.97 cm³; (15)Molar Volume: 183.3 cm³; (16)Polarizability: 24.17×10^-24cm³; (17)Surface Tension: 48.7 dyne/cm; (18)Density: 1.212 g/cm³; (19)Flash Point: 141.3 °C; (20)Enthalpy of Vaporization: 55.08 kJ/mol; (21)Boiling Point: 310 °C at 760 mmHg; (22)Vapour Pressure: 0.000618 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)Nc1ncccc1C=O
(2)InChI: InChI=1/C11H14N2O3/c1-11(2,3)16-10(15)13-9-8(7-14)5-4-6-12-9/h4-7H,1-3H3,(H,12,13,15)
(3)InChIKey: UYMKXJBJFXPXMB-UHFFFAOYAO

Product Name

2-N-Boc-amino-3-formylpyridine

2-N-Boc-amino-3-formylpyridine Specification

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