-
Name
1-BOC-3-(METHYLAMINOMETHYL)-PYRROLIDINE
- EINECS
- CAS No. 404594-16-7
- Article Data4
- CAS DataBase
- Density 1.004 g/cm3
- Solubility
- Melting Point
- Formula C11H22N2O2
- Boiling Point 281.8 °C at 760 mmHg
- Molecular Weight 214.308
- Flash Point 124.2 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms (R)-tert-Butyl 3-((methylamino)methyl)pyrrolidine-1-carboxylate;
- PSA 41.57000
- LogP 1.79160
1-Pyrrolidinecarboxylicacid, 3-[(methylamino)methyl]-, 1,1-dimethylethyl ester, (3R)- Specification
The 1-Pyrrolidinecarboxylicacid, 3-[(methylamino)methyl]-, 1, 1-dimethylethyl ester, (3R)-, with the CAS registry number 404594-16-7, is also known as (R)-tert-Butyl 3-((methylamino)methyl)pyrrolidine-1-carboxylate. This chemical's molecular formula is C11H22N2O2 and molecular weight is 214.30. What's more, its systematic name is tert-Butyl (3R)-3-[(methylamino)methyl]pyrrolidine-1-carboxylate.
Physical properties about 1-Pyrrolidinecarboxylicacid, 3-[(methylamino)methyl]-, 1, 1-dimethylethyl ester, (3R)- are: (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 32.78 Å2; (11)Index of Refraction: 1.472; (12)Molar Refractivity: 59.74 cm3; (13)Molar Volume: 213.3 cm3; (14)Polarizability: 23.68×10-24 cm3; (15)Surface Tension: 34 dyne/cm; (16)Density: 1.004 g/cm3; (17)Flash Point: 124.2 °C; (18)Enthalpy of Vaporization: 52.07 kJ/mol; (19)Boiling Point: 281.8 °C at 760 mmHg; (20)Vapour Pressure: 0.00348 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)N1C[C@H](CC1)CNC
(2) InChI: InChI=1/C11H22N2O2/c1-11(2,3)15-10(14)13-6-5-9(8-13)7-12-4/h9,12H,5-8H2,1-4H3/t9-/m1/s1
(3) InChIKey: WUTNESNBEPKXRB-SECBINFHBS
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