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CAS No.: | 63328-10-9 |
---|---|
Name: | (2S)-2-Pyrrolidinepropanoic acid |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C7H13NO2 |
Molecular Weight: | 143.18362 |
Synonyms: | 3-[(2S)-Pyrrolidin-2-yl]propanoic acid; |
Density: | 1.073 g/cm3 |
Boiling Point: | 283.725 °C at 760 mmHg |
Flash Point: | 125.393 °C |
PSA: | 49.33000 |
LogP: | 0.93200 |
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This chemical is called (S)-3-(Pyrrolidin-2-yl)propanoic acid, and it can also be named as 3-[(2S)-Pyrrolidin-2-yl]propanoic acid. The molecular formula of this chemical is C7H13NO2. The CAS registry number of this chemical is 63328-10-9, and its systematic name is 3-[(2S)-Pyrrolidin-2-yl]propanoic acid.
Other characteristics of the (S)-3-(Pyrrolidin-2-yl)propanoic acid can be summarised as followings: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 49.33 Å2; (10)Index of Refraction: 1.471; (11)Molar Refractivity: 37.319 cm3; (12)Molar Volume: 133.453 cm3; (13)Polarizability: 14.794×10-24 cm3; (14)Surface Tension: 41.482 dyne/cm; (15)Density: 1.073 g/cm3; (16)Flash Point: 125.393 °C; (17)Enthalpy of Vaporization: 57.512 kJ/mol; (18)Boiling Point: 283.725 °C at 760 mmHg; (19)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: C1C[C@H](NC1)CCC(=O)O
2.InChI: InChI=1/C7H13NO2/c9-7(10)4-3-6-2-1-5-8-6/h6,8H,1-5H2,(H,9,10)/t6-/m0/s1
3.InChIKey: HIDODKLFTVMWQL-LURJTMIEBK