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CAS No.: | 57616-69-0 |
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Name: | 1-(3-CHLOROPROPYL)-PYRROLIDINE HYDROCHLORIDE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C7H15Cl2N |
Molecular Weight: | 184.109 |
Synonyms: | Pyrrolidine,1-(3-chloropropyl)-, hydrochloride (6CI,7CI,9CI);1-(3-Chloropropyl)pyrrolidinehydrochloride;Pyrrolidinopropyl chloride hydrochloride; |
Melting Point: | 134-136 °C |
Boiling Point: | 194.5 °C at 760 mmHg |
Flash Point: | 71.4 °C |
PSA: | 3.24000 |
LogP: | 2.45100 |
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The (3-Chloropropyl)pyrrolidine hydrochloride with the CAS number 57616-69-0 is also called Pyrrolidine,1-(3-chloropropyl)-, hydrochloride (1:1). Both the systematic name and IUPAC name are 1-(3-chloropropyl)pyrrolidine hydrochloride. Its molecular formula is C7H15Cl2N. The product category is Amines and Anilines.
The properties of the chemical are: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24 Å2; (13)Enthalpy of Vaporization: 43.07 kJ/mol; (14)Vapour Pressure: 0.44 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCCCN1CCCC1.Cl
(2)InChI: InChI=1/C7H14ClN.ClH/c8-4-3-7-9-5-1-2-6-9;/h1-7H2;1H
(3)InChIKey: UUPCYQIIQHSPKR-UHFFFAOYAB