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| CAS No.: | 128345-57-3 |
|---|---|
| Name: | (S)-3-Aminopyrrolidine |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C4H10N2 |
| Molecular Weight: | 86.1368 |
| Synonyms: | 3-Pyrrolidinamine,(S)-;(-)-3-Aminopyrrolidine;(3S)-(-)-3-Aminopyrrolidine;(3S)-3-Aminopyrrolidine;(3S)-3-Pyrrolidinamine; |
| Density: | 0.933 g/cm3 |
| Boiling Point: | 132.217 °C at 760 mmHg |
| Flash Point: | 33.713 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 38.05000 |
| LogP: | 0.33610 |
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Specification
The (S)-3-Aminopyrrolidine, with cas registry number of 128345-57-3, belongs to the classes of pharmacetical; chiral; 3-Aminopyrrolidines; Amines (Chiral); Chiral 3-Aminopyrrolidines; Chiral Building Blocks; Synthetic Organic Chemistry; Chiral Compound; Chiral Building Blocks; Heterocyclic Building Blocks; Pyrrolidines. It is also known as 3-Pyrrolidinamine, (3S)-. Both its IUPAC name and systematic name are the same which is called (3S)-pyrrolidin-3-amine.
Physical properties about this chemical are: (1)ACD/LogP: -0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.8; (4)ACD/LogD (pH 7.4): -3.79; (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: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 25.34 cm3; (15)Molar Volume: 92.3 cm3; (16)Surface Tension: 33.9 dyne/cm; (17)Density: 0.933 g/cm3; (18)Flash Point: 33.7 °C; (19)Enthalpy of Vaporization: 36.98 kJ/mol; (20)Boiling Point: 132.2 °C at 760 mmHg; (21)Vapour Pressure: 8.95 mmHg at 25°C; (22)Alpha: -20 °(neat); (23)Refractive index: n20/D 1.488(lit.).
When you are using this chemical, please be cautious about it as the following:
This chemical is sensitive to air and hygroscopic. It is irritating to eyes, respiratory system and skin. Wear suitable protective clothing when you are using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: N[C@H]1CCNC1;
(2)InChI: InChI=1/C4H10N2/c5-4-1-2-6-3-4/h4,6H,1-3,5H2/t4-/m0/s1;
(3)InChIKey: NGXSWUFDCSEIOO-BYPYZUCNBQ