-
Name
1-METHYL-D3-PYRROLIDINE
- EINECS
- CAS No. 77422-30-1
- Density 0.883 g/cm3
- Solubility
- Melting Point
- Formula C5H8D3N
- Boiling Point 82.1 °C at 760 mmHg
- Molecular Weight 88.1252
- Flash Point −7 °F
- Transport Information UN 2924 3/PG 2
- Appearance
- Safety 16-23-26-36/37/39-45
- Risk Codes 11-34
-
Molecular Structure
-
Hazard Symbols
F, 
C
- Synonyms N-Methyl-d3-pyrrolidine;
- PSA 3.24000
- LogP 0.64990
Pyrrolidine, 1-(methyl-d3)- (9CI) Specification
The Pyrrolidine, 1-(methyl-d3)- (9CI), with the CAS registry number 77422-30-1, is also known as N-Methyl-d3-pyrrolidine. This chemical's molecular formula is C5H8D3N and molecular weight is 88.17. What's more, its systematic name is 1-(Trideuteriomethyl)pyrrolidine.
Physical properties about Pyrrolidine, 1-(methyl-d3)- (9CI) are: (1)ACD/LogP: 0.76; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Index of Refraction: 1.448; (7)Molar Refractivity: 26.72 cm3; (8)Molar Volume: 99.7 cm3; (9)Polarizability: 10.59×10-24 cm3; (10)Surface Tension: 26.7 dyne/cm; (11)Density: 0.883 g/cm3; (12)Enthalpy of Vaporization: 32.27 kJ/mol; (13)Boiling Point: 82.1 °C at 760 mmHg; (14)Vapour Pressure: 79.6 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it may cause burns. In addition, this chemical may destroy living tissue on contact. During using it, you should wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is highly flammable, and it may catch fire on contacting with an ignition source. Hence, keep it away from sources of ignition.
You can still convert the following datas into molecular structure:
(1) SMILES: [2H]C([2H])([2H])N1CCCC1
(2) InChI: InChI=1/C5H11N/c1-6-4-2-3-5-6/h2-5H2,1H3/i1D3
(3) InChIKey: AVFZOVWCLRSYKC-FIBGUPNXES
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