Carbamic acid,N-(3-pyridinylmethyl)-, 1,1-dimethylethyl ester supplier

Name
N-BOC-3-AMINOMETHYLPYRIDINE 97
EINECS
CAS No. 102297-41-6
Article Data17
CAS DataBase
Density 1.074 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₆N₂O₂
Boiling Point 346.162 °C at 760 mmHg
Molecular Weight 208.26
Flash Point 163.153 °C
Transport Information UN 1993 3/PG 2
Appearance
Safety 16-37/39
Risk Codes 10-22-43
Molecular Structure
Hazard Symbols Xn
Synonyms Carbamicacid, (3-pyridinylmethyl)-, 1,1-dimethylethyl ester (9CI);[(Pyridin-3-yl)methyl]carbamic acid tert-butyl ester;tert-Butylpyridin-3-ylmethylcarbamate;
PSA 51.22000
LogP 2.49720

Carbamic acid,N-(3-pyridinylmethyl)-, 1,1-dimethylethyl ester Specification

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

Product Name

N-BOC-3-AMINOMETHYLPYRIDINE 97

Carbamic acid,N-(3-pyridinylmethyl)-, 1,1-dimethylethyl ester Specification

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