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| CAS No.: | 186597-29-5 |
|---|---|
| Name: | (S)-3-METHYL-PYRROLIDINE HYDROCHLORIDE |
| Molecular Structure: | |
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| Formula: | C5H12ClN |
| Molecular Weight: | 121.60848 |
| Synonyms: | Pyrrolidine,3-methyl-, hydrochloride, (3S)- (9CI);Pyrrolidine, 3-methyl-, hydrochloride,(S)-;(S)-3-Methylpyrrolidine hydrochloride; |
| Boiling Point: | 146.9 °C at 760 mmHg |
| Flash Point: | 42.6 °C |
| PSA: | 12.03000 |
| LogP: | 1.74660 |
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Specification
The Pyrrolidine, 3-methyl-,hydrochloride (1:1), (3S)-, with the CAS registry number 186597-29-5, is also known as (S)-3-Methyl-pyrrolidine hydrochloride. This chemical's molecular formula is C5H12ClN and molecular weight is 121.60848. Its IUPAC name is called 3-methylpyrrolidine hydrochloride.
Physical properties of Pyrrolidine, 3-methyl-,hydrochloride (1:1), (3S)-: (1)ACD/LogP: 0.86; (2)#H bond acceptors: 1; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 0; (5)Flash Point: 42.6 °C; (6)Enthalpy of Vaporization: 39.18 kJ/mol; (7)Boiling Point: 146.9 °C at 760 mmHg; (8)Vapour Pressure: 4.03 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1CCNC1.Cl
(2)InChI: InChI=1S/C5H11N.ClH/c1-5-2-3-6-4-5;/h5-6H,2-4H2,1H3;1H
(3)InChIKey: JDJFUMBJQINVKP-UHFFFAOYSA-N