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CAS No.: | 102297-41-6 |
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Name: | N-BOC-3-AMINOMETHYLPYRIDINE 97 |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C11H16N2O2 |
Molecular Weight: | 208.26 |
Synonyms: | Carbamicacid, (3-pyridinylmethyl)-, 1,1-dimethylethyl ester (9CI);[(Pyridin-3-yl)methyl]carbamic acid tert-butyl ester;tert-Butylpyridin-3-ylmethylcarbamate; |
Density: | 1.074 g/cm3 |
Boiling Point: | 346.162 °C at 760 mmHg |
Flash Point: | 163.153 °C |
Hazard Symbols: | Xn |
Risk Codes: | 10-22-43 |
Safety: | 16-37/39 |
Transport Information: | UN 1993 3/PG 2 |
PSA: | 51.22000 |
LogP: | 2.49720 |
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The Carbamic acid,N-(3-pyridinylmethyl)-, 1,1-dimethylethyl ester, with the CAS registry number 102297-41-6, is also known as 3-[(N-(tert-Butyloxycarbonyl)amino)methyl]pyridine. This chemical's molecular formula is C11H16N2O2 and molecular weight is 208.25694. What's more, its systematic name is called tert-Butyl (pyridin-3-ylmethyl)carbamate. It should be kept in a cold, dry and sealed place.
Physical properties about Carbamic acid,N-(3-pyridinylmethyl)-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.11; (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): 6; (6)ACD/BCF (pH 7.4): 7; (7)ACD/KOC (pH 5.5): 113; (8)ACD/KOC (pH 7.4): 137; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 51.22 Å2; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 57.76 cm3; (15)Molar Volume: 193.848 cm3; (16)Surface Tension: 39.166 dyne/cm; (17)Density: 1.074 g/cm3; (18)Flash Point: 163.153 °C; (19)Enthalpy of Vaporization: 59.031 kJ/mol; (20)Boiling Point: 346.162 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health and cause sensitisation by skin contacting. What's more, it is flammable and it is harmful if swallowed. Therefore, you should wear suitable gloves and eye/face protection. In addition, you should keep away from sources of ignition.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)NCc1cccnc1
(2) InChI: InChI=1/C11H16N2O2/c1-11(2,3)15-10(14)13-8-9-5-4-6-12-7-9/h4-7H,8H2,1-3H3,(H,13,14)
(3) InChIKey: PHQXGCNECRISKB-UHFFFAOYAJ