Carbamic acid,N-(5-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester supplier

Name
2-(BOC-AMINO)-5-PICOLINE
EINECS
CAS No. 562074-43-5
Article Data6
CAS DataBase
Density 1.108 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₆N₂O₂
Boiling Point 273.7 °C at 760 mmHg
Molecular Weight 208.26
Flash Point 119.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Carbamicacid, (5-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester (9CI);
PSA 51.22000
LogP 2.81000

Carbamic acid,N-(5-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester Specification

The Carbamic acid,N-(5-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester, with the CAS registry number 562074-43-5, is also known as 2-(Boc-amino)-5-picoline. It belongs to the product category of N-BOC. This chemical's molecular formula is C₁₁H₁₆N₂O₂ and molecular weight is 208.2569. What's more, its systematic name is called tert-Butyl (5-methylpyridin-2-yl)carbamate.

Physical properties about Carbamic acid,N-(5-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 2.11; (5)ACD/BCF (pH 5.5): 20.51; (6)ACD/BCF (pH 7.4): 23.46; (7)ACD/KOC (pH 5.5): 290.95; (8)ACD/KOC (pH 7.4): 332.88; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 51.22 Å²; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 59.05 cm³; (15)Molar Volume: 187.9 cm³; (16)Surface Tension: 41.4 dyne/cm; (17)Density: 1.108 g/cm³; (18)Flash Point: 119.3 °C; (19)Enthalpy of Vaporization: 51.2 kJ/mol; (20)Boiling Point: 273.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00565 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)Nc1ccc(C)cn1
(2) InChI: InChI=1/C11H16N2O2/c1-8-5-6-9(12-7-8)13-10(14)15-11(2,3)4/h5-7H,1-4H3,(H,12,13,14)
(3) InChIKey: QSGRLGXFSNTKDV-UHFFFAOYAN

Product Name

2-(BOC-AMINO)-5-PICOLINE

Carbamic acid,N-(5-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester Specification

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