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CAS No.: | 953079-94-2 |
---|---|
Name: | Pyrrolidine-3-carboxylic acid hydrochloride |
Molecular Structure: | |
Formula: | C5H10ClNO2 |
Molecular Weight: | 151.593 |
Synonyms: | beta-Proline hydrochloride; |
EINECS: | 200-258-5 |
Melting Point: | 33-38℃ |
Boiling Point: | 282.4 °C at 760 mmHg |
Flash Point: | 124.6 °C |
Hazard Symbols: | Xi |
Risk Codes: | 41 |
Safety: | 26-39 |
PSA: | 49.33000 |
LogP: | 0.81130 |
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The systematic name of this chemical is pyrrolidine-3-carboxylic acid hydrochloride. With the CAS registry number 953079-94-2, it is also named as 3-Pyrrolidinecarboxylic acid, hydrochloride (1:1). The formula is C5H10ClNO2 and the molecular weight is 151.59.
The other characteristics of Pyrrolidine-3-carboxylic acid hydrochloride can be summarized as: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 49.33 Å2; (6)Flash Point: 124.6 °C; (7)Enthalpy of Vaporization: 57.36 kJ/mol; (8)Boiling Point: 282.4 °C at 760 mmHg; (9)Vapour Pressure: 0.000885 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:Cl.OC(=O)C1CNCC1;
2. InChI=1/C5H9NO2.ClH/c7-5(8)4-1-2-6-3-4;/h4,6H,1-3H2,(H,7,8);1H
3. InChIKey:OYCLYMMIZJWYJG-UHFFFAOYAX
4. Std. InChI:InChI=1S/C5H9NO2.ClH/c7-5(8)4-1-2-6-3-4;/h4,6H,1-3H2,(H,7,8);1H
5. Std. InChIKey:OYCLYMMIZJWYJG-UHFFFAOYSA-N