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CAS No.: | 98400-69-2 |
---|---|
Name: | 4-(Boc-amino)pyridine |
Article Data: | 51 |
Molecular Structure: | |
Formula: | C10H14N2O2 |
Molecular Weight: | 194.233 |
Synonyms: | Carbamicacid, 4-pyridinyl-, 1,1-dimethylethyl ester (9CI);1,1-Dimethylethyl[4-pyridinyl]carbamate;4-(tert-Butoxycarbonylamino)pyridine;4-[N-(tert-Butoxycarbonyl)amino]pyridine;Pyridin-4-ylcarbamic acid tert-butylester;tert-Butyl (pyridin-4-yl)carbamate;tert-Butyl 4-pyridylcarbamate;4-(Boc-amino)pyridine; |
Density: | 1.131 g/cm3 |
Melting Point: | 145-149 °C |
Boiling Point: | 252.743 °C at 760 mmHg |
Flash Point: | 106.656 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-43 |
Safety: | 36/37 |
PSA: | 51.22000 |
LogP: | 2.50160 |
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This chemical is called tert-Butyl pyridin-4-ylcarbamate, and it's also named as 4-(Boc-amino)pyridine. With the molecular formula of C10H14N2O2, its molecular weight is 194.23. The CAS registry number of this chemical is 98400-69-2. Additionally, its product categories are N-BOC; Heterocycles; Heterocyclic Compounds.
Other characteristics of the tert-Butyl pyridin-4-ylcarbamate can be summarised as followings: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 8; (7)ACD/KOC (pH 5.5): 24; (8)ACD/KOC (pH 7.4): 147; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 51.22 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 54.226 cm3; (15)Molar Volume: 171.671 cm3; (16)Polarizability: 21.497×10-24cm3; (17)Surface Tension: 42.871 dyne/cm; (18)Density: 1.131 g/cm3; (19)Flash Point: 106.656 °C; (20)Enthalpy of Vaporization: 49.01 kJ/mol; (21)Boiling Point: 252.743 °C at 760 mmHg; (22)Vapour Pressure: 0.019 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is harmful if swallowed and it may cause sensitization by skin contact. Please wear suitable protective clothing and gloves if you use it.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC(C)(C)C)Nc1ccncc1
2.InChI: InChI=1/C10H14N2O2/c1-10(2,3)14-9(13)12-8-4-6-11-7-5-8/h4-7H,1-3H3,(H,11,12,13)
3.InChIKey: DRZYCRFOGWMEES-UHFFFAOYAS