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CAS No.: | 52068-30-1 |
---|---|
Name: | 4-Benzyloxyphenylhydrazine hydrochloride |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C13H14N2O.HCl |
Molecular Weight: | 250.728 |
Synonyms: | Hydrazine,[4-(phenylmethoxy)phenyl]-, monohydrochloride (9CI);Hydrazine,[p-(benzyloxy)phenyl]-, hydrochloride (6CI,7CI);(4-Benzyloxyphenyl)hydrazine hydrochloride salt;(p-Benzyloxyphenyl)hydrazinehydrochloride; |
EINECS: | 257-636-9 |
Melting Point: | 187-189 °C |
Boiling Point: | 395.8 °C at 760 mmHg |
Flash Point: | 193.2 °C |
Appearance: | cream to brown fluffy powder |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 47.28000 |
LogP: | 4.12650 |
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The Hydrazine,[4-(phenylmethoxy)phenyl]-, hydrochloride (1:1), with the CAS registry number 52068-30-1 and EINECS registry number 257-636-9, has the the systematic name and IUPAC name of [4-(benzyloxy)phenyl]hydrazine hydrochloride. It is a kind of cream to brown fluffy powder, and belongs to the following product categories: Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes. And the molecular formula of the chemical is C13H14N2O.HCl.
The characteristics of Hydrazine,[4-(phenylmethoxy)phenyl]-, hydrochloride (1:1) are as followings: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.53; (4)ACD/LogD (pH 7.4): 2.85; (5)ACD/BCF (pH 5.5): 40.83; (6)ACD/BCF (pH 7.4): 85.79; (7)ACD/KOC (pH 5.5): 399.31; (8)ACD/KOC (pH 7.4): 839.12; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 15.71 Å2 ; (13)Flash Point: 193.2 °C; (14)Enthalpy of Vaporization: 64.6 kJ/mol; (15)Boiling Point: 395.8 °C at 760 mmHg; (16)Vapour Pressure: 1.79E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.O(c1ccc(cc1)NN)Cc2ccccc2
(2)InChI: InChI=1/C13H14N2O.ClH/c14-15-12-6-8-13(9-7-12)16-10-11-4-2-1-3-5-11;/h1-9,15H,10,14H2;1H
(3)InChIKey: OVNUPJXMCMTQCN-UHFFFAOYAM