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CAS No.: | 10578-75-3 |
---|---|
Name: | 2-(Benzyloxy)-1-ethanamine hydrochloride |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C9H14ClNO |
Molecular Weight: | 187.669 |
Synonyms: | 2-Benzyloxyethylamine hydrochloride;2-(Benzyloxy)ethanamine hydrochloride;Ethanamine,2-(phenylmethoxy)-, hydrochloride (9CI);Ethylamine, 2-(benzyloxy)-,hydrochloride (7CI,8CI);2-(Phenylmethoxy)ethylammonium chloride;Ethanamine,2-(phenylmethoxy)-, hydrochloride (1:1); |
Melting Point: | 142 °C |
Boiling Point: | 240.6 °C at 760 mmHg |
Flash Point: | 84.9 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Harmful; "> Xi:Harmful; |
Safety: | 26-36 |
PSA: | 35.25000 |
LogP: | 2.66420 |
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The 2-(Benzyloxy)-1-ethanamine hydrochloride, with the CAS registry number 10578-75-3, is also known as 2-(Phenylmethoxy)ethylammonium chloride. It belongs to the product category of Phenyls & Phenyl-Het. This chemical's molecular formula is C9H14ClNO and molecular weight is 187.67. What's more, its systematic name is 2-(benzyloxy)ethanamine hydrochloride.
Physical properties of 2-(Benzyloxy)-1-ethanamine hydrochloride are: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.47; (4)ACD/LogD (pH 7.4): -0.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 5.26; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 12.47 Å2; (12)Flash Point: 84.9 °C; (13)Enthalpy of Vaporization: 47.75 kJ/mol; (14)Boiling Point: 240.6 °C at 760 mmHg; (15)Vapour Pressure: 0.0376 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O(CCN)Cc1ccccc1
(2)InChI: InChI=1S/C9H13NO.ClH/c10-6-7-11-8-9-4-2-1-3-5-9;/h1-5H,6-8,10H2;1H
(3)InChIKey: AFQMWBUNDONXED-UHFFFAOYSA-N