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| CAS No.: | 187237-37-2 |
|---|---|
| Name: | TERT-BUTYL [(5-(AMINOMETHYL)PYRIDIN-2-YL]CARBAMATE |
| Molecular Structure: | |
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| Formula: | C11H17N3O2 |
| Molecular Weight: | 223.275 |
| Synonyms: | Carbamicacid, [5-(aminomethyl)-2-pyridinyl]-, 1,1-dimethylethyl ester (9CI);(5-Aminomethylpyridin-2-yl)carbamicacid tert-butyl ester; |
| EINECS: | -0 |
| Density: | 1.164 g/cm3 |
| Melting Point: | 132-134℃ |
| Boiling Point: | 321.371 °C at 760 mmHg |
| Flash Point: | 148.16 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| PSA: | 77.24000 |
| LogP: | 2.66060 |
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Specification
The Carbamic acid,N-[5-(aminomethyl)-2-pyridinyl]-, 1,1-dimethylethyl ester, with the CAS registry number 187237-37-2, is also known as 2-(Boc-amino)-5-(aminomethyl)pyridine. It belongs to the product category of Pyridine. This chemical's molecular formula is C11H17N3O2 and molecular weight is 223.27158. Its IUPAC name is called tert-butyl N-[5-(aminomethyl)pyridin-2-yl]carbamate. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of Carbamic acid,N-[5-(aminomethyl)-2-pyridinyl]-, 1,1-dimethylethyl ester: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 2.93; (5)#H bond acceptors: 5; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 4; (8)Index of Refraction: 1.568; (9)Molar Refractivity: 62.677 cm3; (10)Molar Volume: 191.659 cm3; (11)Surface Tension: 48.247 dyne/cm; (12)Density: 1.165 g/cm3; (13)Flash Point: 148.16 °C; (14)Enthalpy of Vaporization: 56.312 kJ/mol; (15)Boiling Point: 321.371 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)NC1=NC=C(C=C1)CN
(2)InChI: InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-9-5-4-8(6-12)7-13-9/h4-5,7H,6,12H2,1-3H3,(H,13,14,15)
(3)InChIKey: DFLQTVPEIMTXSZ-UHFFFAOYSA-N