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Name |
(S)-(+)-1-Methyl-3-pyrrolidinol |
EINECS | -0 |
CAS No. | 104641-59-0 | Density | 1.045 g/cm3 |
PSA | 23.47000 | LogP | -0.37930 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H11NO | Boiling Point | 192.2 °C at 760 mmHg |
Molecular Weight | 101.148 | Flash Point | 70.6 °C |
Transport Information | N/A | Appearance | yellowish liquid |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3-Pyrrolidinol,1-methyl-, (S)-;(3S)-1-Methylpyrrolidin-3-ol;(S)-(+)-3-Hydroxy-N-methylpyrrolidine;(S)-1-Methyl-3-pyrrolidinol; |
Article Data | 9 |
Systematic Name: (3S)-1-Methylpyrrolidin-3-ol
Synonyms of (S)-(+)-1-Methyl-3-pyrrolidinol (CAS NO.104641-59-0): (S)-(+)-3-Hydroxy-N-methylpyrrolidine
CAS NO: 104641-59-0
Molecular Formula: C5H11NO
Molecular Weight: 101.15
Molecular Structure:
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 12.47 Å2
Index of Refraction: 1.496
Molar Refractivity: 28.31 cm3
Molar Volume: 96.7 cm3
Surface Tension: 39 dyne/cm
Density: 1.045 g/cm3
Flash Point: 70.6 °C
Enthalpy of Vaporization: 49.85 kJ/mol
Boiling Point: 192.2 °C at 760 mmHg
Vapour Pressure: 0.132 mmHg at 25°C
Alpha : 6 º (c=1%, chloroform)
Sensitive : Air Sensitive & Hygroscopic
SMILES: O[C@H]1CCN(C)C1
InChI: InChI=1/C5H11NO/c1-6-3-2-5(7)4-6/h5,7H,2-4H2,1H3/t5-/m0/s1
InChIKey: FLVFPAIGVBQGET-YFKPBYRVBV
Std. InChI: InChI=1S/C5H11NO/c1-6-3-2-5(7)4-6/h5,7H,2-4H2,1H3/t5-/m0/s1
Std. InChIKey: FLVFPAIGVBQGET-YFKPBYRVSA-N
Product Categories ofS)-(+)-1-Methyl-3-pyrrolidinol (CAS NO.104641-59-0): Pyrrole&Pyrrolidine&Pyrroline;Chiral Building Blocks;Simple Alcohols (Chiral);Synthetic Organic Chemistry
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38: (S)-(+)-1-Methyl-3-pyrrolidinol (CAS NO.104641-59-0) is irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
WGK Germany: 3
RTECS: TM9570000