-
Name
3-AMINOETHYL-1-N-CBZ-PYRROLIDINE
- EINECS
- CAS No. 811842-07-6
- Density 1.132 g/cm3
- Solubility
- Melting Point
- Formula C14H20N2O2
- Boiling Point 383.7 °C at 760 mmHg
- Molecular Weight 248.325
- Flash Point 185.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 3-(2-Aminoethyl)pyrrolidine-1-carboxylicacid benzyl ester;Benzyl 3-(2-aminoethyl)pyrrolidine-1-carboxylate;
- PSA 55.56000
- LogP 2.63210
1-Pyrrolidinecarboxylicacid, 3-(2-aminoethyl)-, phenylmethyl ester Specification
The 1-Pyrrolidinecarboxylicacid, 3-(2-aminoethyl)-, phenylmethyl ester, with the CAS registry number 811842-07-6, is also known as Phenylmethyl 3-(2-aminoethyl)pyrrolidinecarboxylate. This chemical's molecular formula is C14H20N2O2 and molecular weight is 248.324. What's more, both its IUPAC name and systematic name are the same which is called Benzyl 3-(2-aminoethyl)pyrrolidine-1-carboxylate.
Physical properties about 1-Pyrrolidinecarboxylicacid, 3-(2-aminoethyl)-, phenylmethyl ester are: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.74; (4)ACD/LogD (pH 7.4): -1.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 70.31 cm3; (15)Molar Volume: 219.3 cm3; (16)Surface Tension: 46.9 dyne/cm; (17)Density: 1.132 g/cm3; (18)Flash Point: 185.8 °C; (19)Enthalpy of Vaporization: 63.22 kJ/mol; (20)Boiling Point: 383.7 °C at 760 mmHg; (21)Vapour Pressure: 4.33E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCc1ccccc1)N2CCC(CCN)C2
(2) InChI: InChI=1/C14H20N2O2/c15-8-6-12-7-9-16(10-12)14(17)18-11-13-4-2-1-3-5-13/h1-5,12H,6-11,15H2
(3) InChIKey: ZKELBKKCCWEFAG-UHFFFAOYAJ
Related Products
- 1-Pyrrolidinecarboxylicacid, 2-(2-aminoethyl)-, 1,1-dimethylethyl ester, (2S)-
- 1-Pyrrolidinecarboxylicacid, 2-(aminocarbonyl)-, phenylmethyl ester, (2R)-
- 1-Pyrrolidinecarboxylicacid, 2-(bromomethyl)-, 1,1-dimethylethyl ester,(2R)-
- 1-Pyrrolidinecarboxylicacid, 2-(hydroxymethyl)-, 9H-fluoren-9-ylmethyl ester, (2S)-
- 1-Pyrrolidinecarboxylicacid, 2,2-dimethyl-3-oxo-, ethyl ester
- 1-Pyrrolidinecarboxylicacid, 2-amino-, 1,1-dimethylethyl ester
- 1-Pyrrolidinecarboxylicacid, 2-ethynyl-, 1,1-dimethylethyl ester
- 1-Pyrrolidinecarboxylicacid, 2-methyl-, 1,1-dimethylethyl ester, (2R)-
- 1-Pyrrolidinecarboxylicacid, 3-(2-aminoethyl)-, phenylmethyl ester
- 1-Pyrrolidinecarboxylicacid, 3-(acetylamino)-, 1,1-dimethylethyl ester, (3S)-
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