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CAS No.: | 84359-20-6 |
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Name: | 4-Pyridinepropanamine monohydrochloride |
Molecular Structure: | |
Formula: | C8H13ClN2 |
Molecular Weight: | 172.66 |
Synonyms: | 4-Pyridinepropanamine, hydrochloride (1:1); |
Boiling Point: | 248.2 °C at 760 mmHg |
Flash Point: | 124.6 °C |
PSA: | 38.91000 |
LogP: | 2.47520 |
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The 4-Pyridinepropanamine monohydrochloride, with the CAS registry number 84359-20-6, is also known as 4-Pyridinepropanamine, hydrochloride (1:1). This chemical's molecular formula is C8H13ClN2 and molecular weight is 172.66. What's more, its systematic name is 3-(Pyridin-4-yl)propan-1-aminium chloride.
Physical properties about 4-Pyridinepropanamine monohydrochloride are: (1)ACD/LogP: 0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -2; (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: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.91 Å2; (13)Flash Point: 124.6 °C; (14)Enthalpy of Vaporization: 48.54 kJ/mol; (15)Boiling Point: 248.2 °C at 760 mmHg; (16)Vapour Pressure: 0.0245 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [Cl-].[NH3+]CCCc1ccncc1
(2) InChI: InChI=1/C8H12N2.ClH/c9-5-1-2-8-3-6-10-7-4-8;/h3-4,6-7H,1-2,5,9H2;1H
(3) InChIKey: QVRNSHJCACWDNW-UHFFFAOYAC