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| CAS No.: | 89203-64-5 |
|---|---|
| Name: | 3-Pyrrolidineacetic acid |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C6H11NO2 |
| Molecular Weight: | 129.159 |
| Synonyms: | Pyrrolidin-3-ylaceticacid; |
| Density: | 1.104 g/cm3 |
| Boiling Point: | 272.3 °C at 760 mmHg |
| Flash Point: | 118.5 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 49.33000 |
| LogP: | 0.39940 |
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Specification
The 3-Pyrrolidineacetic acid is an organic compound with the formula C6H11NO2. The systematic name of this chemical is pyrrolidin-3-ylacetic acid and the CAS registry number is 89203-64-5. The product's category is Pharmacetical. In addition, the molecular weight is 129.16.
The other characteristics of 3-Pyrrolidineacetic acid can be summarized as: (1)ACD/LogP: -0.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.77; (4)ACD/LogD (pH 7.4): -2.75; (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: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.47; (14)Molar Refractivity: 32.68 cm3; (15)Molar Volume: 116.9 cm3; (16)Polarizability: 12.95×10-24 cm3; (17)Surface Tension: 42.6 dyne/cm; (18)Density: 1.104 g/cm3; (19)Flash Point: 118.5 °C; (20)Enthalpy of Vaporization: 56.2 kJ/mol; (21)Boiling Point: 272.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0017 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)CC1CCNC1
2. InChI:InChI=1/C6H11NO2/c8-6(9)3-5-1-2-7-4-5/h5,7H,1-4H2,(H,8,9)
3. InChIKey:OUENRUZPZZFMCA-UHFFFAOYAU
4. Std. InChI:InChI=1S/C6H11NO2/c8-6(9)3-5-1-2-7-4-5/h5,7H,1-4H2,(H,8,9)
5. Std. InChIKey:OUENRUZPZZFMCA-UHFFFAOYSA-N