-
Name
1-Boc-3-Methylaminopyrrolidine
- EINECS
- CAS No. 454712-26-6
- Article Data14
- CAS DataBase
- Density 1.03 g/cm3
- Solubility
- Melting Point
- Formula C10H20N2O2
- Boiling Point 269.4 °C at 760 mmHg
- Molecular Weight 200.281
- Flash Point 116.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1-(tert-Butyloxycarbonyl)-3-methylaminopyrrolidine;3-Methylamino-1-tert-butoxycarbonylpyrrolidine;3-Methylaminopyrrolidine-1-carboxylic acid tert-butyl ester;tert-Butyl3-(methylamino)pyrrolidine-1-carboxylate;
- PSA 41.57000
- LogP 1.54400
1-Boc-3-Methylaminopyrrolidine Specification
The 1-Pyrrolidinecarboxylicacid, 3-(methylamino)-, 1,1-dimethylethyl ester, with the CAS registry number 454712-26-6, is also known as 3-Methylaminopyrrolidine-1-carboxylic acid tert-butyl ester. It belongs to the product categories of Aminoacid; Pyrrole & Pyrrolidine & Pyrroline. This chemical's molecular formula is C10H20N2O2 and molecular weight is 200.28. What's more, its systematic name is tert-butyl 3-methylaminopyrrolidine-1-carboxylate. It should be sealed and stored at room temperature.
Physical properties of 1-Pyrrolidinecarboxylicacid, 3-(methylamino)-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 0.51; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 41.57 Å2; (7)Index of Refraction: 1.485; (8)Molar Refractivity: 55.67 cm3; (9)Molar Volume: 194 cm3; (10)Polarizability: 22.07×10-24cm3; (11)Surface Tension: 36 dyne/cm; (12)Density: 1.03 g/cm3; (13)Flash Point: 116.8 °C; (14)Enthalpy of Vaporization: 50.76 kJ/mol; (15)Boiling Point: 269.4 °C at 760 mmHg; (16)Vapour Pressure: 0.00725 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCC(C1)NC
(2)Std. InChI: InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-5-8(7-12)11-4/h8,11H,5-7H2,1-4H3
(3)Std. InChIKey: OKUCEQDKBKYEJY-UHFFFAOYSA-N
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