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CAS No.: | 198959-37-4 |
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Name: | METHYL 3-PYRROLIDINECARBOXYLATE HCL |
Molecular Structure: | |
Formula: | C6H12ClNO2 |
Molecular Weight: | 165.62 |
Synonyms: | Methyl pyrrolidine-3-carboxylatehydrochloride;3-Pyrrolidinecarboxylicacid, methyl ester, hydrochloride (9CI); |
Boiling Point: | 213.6 °C at 760 mmHg |
Flash Point: | 83 °C |
PSA: | 38.33000 |
LogP: | 0.89970 |
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The CAS register number of 3-Pyrrolidinecarboxylicacid, methyl ester, hydrochloride (1:1) is 198959-37-4. It also can be called as Pyrrolidine-3-carboxylic acid methyl ester hydrochloride and the IUPAC name about this chemical is methyl pyrrolidine-3-carboxylate hydrochloride. The molecular formula about this chemical is C6H12ClNO2 and the molecular weight is 165.62. It belongs to the Pharmacetical.
Physical properties about 3-Pyrrolidinecarboxylicacid, methyl ester, hydrochloride (1:1) are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 38.33Å2; (9)Flash Point: 83 °C; (10)Enthalpy of Vaporization: 45.91 kJ/mol; (11)Boiling Point: 213.6 °C at 760 mmHg; (12)Vapour Pressure: 0.135 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.COC(=O)C1CNCC1
(2)InChI: InChI=1/C6H11NO2.ClH/c1-9-6(8)5-2-3-7-4-5;/h5,7H,2-4H2,1H3;1H
(3)InChIKey: VVBSXSVVMNGQIN-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C6H11NO2.ClH/c1-9-6(8)5-2-3-7-4-5;/h5,7H,2-4H2,1H3;1H
(5)Std. InChIKey: VVBSXSVVMNGQIN-UHFFFAOYSA-N