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CAS No.: | 214357-95-6 |
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Name: | 3-Pyrrolidinamine,1-methyl-,(3S)-(9CI) |
Molecular Structure: | |
Formula: | C5H12N2 |
Molecular Weight: | 100.164 |
Synonyms: | (3S)-1-Methylpyrrolidin-3-amine; |
Density: | 0.933 g/cm3 |
Boiling Point: | 109.63 °C at 760 mmHg |
Flash Point: | 22.382 °C |
PSA: | 29.26000 |
LogP: | 0.28740 |
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The 3-Pyrrolidinamine,1-methyl-, (3S)-, with the CAS registry number 214357-95-6, is also known as (S)-1-Methylpyrrolidin-3-amine. It belongs to the product category of Variousamine. This chemical's molecular formula is C5H12N2 and molecular weight is 100.1622. What's more, both its IUPAC name and systematic name are the same which is called (3S)-1-Methylpyrrolidin-3-amine.
Physical properties about 3-Pyrrolidinamine,1-methyl-, (3S)- are: (1)ACD/LogP: 0.68; (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: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 29.26 Å2; (11)Index of Refraction: 1.476; (12)Molar Refractivity: 30.274 cm3; (13)Molar Volume: 107.342 cm3; (14)Surface Tension: 31.67 dyne/cm; (15)Density: 0.933 g/cm3; (16)Flash Point: 22.382 °C; (17)Enthalpy of Vaporization: 34.835 kJ/mol; (18)Boiling Point: 109.63 °C at 760 mmHg; (19)Vapour Pressure: 24.597 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CN1CC[C@@H](C1)N
(2) InChI: InChI=1/C5H12N2/c1-7-3-2-5(6)4-7/h5H,2-4,6H2,1H3/t5-/m0/s1
(3) InChIKey: UNHOPMIDKWXFMF-YFKPBYRVBI