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2912-98-3

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Basic Information
CAS No.: 2912-98-3
Name: N-(1-PYRIDIN-4-YL-ETHYL)-HYDROXYLAMINE
Article Data: 22
Molecular Structure:
Molecular Structure of 2912-98-3 (N-(1-PYRIDIN-4-YL-ETHYL)-HYDROXYLAMINE)
Formula: C8H11NO
Molecular Weight: 137.181
Synonyms: Hydroxylamine,N-(a-methylbenzyl)- (7CI,8CI);N-(1-Phenylethyl)hydroxylamine;N-Hydroxy-1-phenyl-1-aminoethane;N-hydroxy-1-phenylethanamine;benzenemethanamine, N-hydroxy-α-methyl-;N-Hydroxy-1-phenylethanamine;
Density: 1.061 g/cm3
Boiling Point: 250.858 °C at 760 mmHg
Flash Point: 117.221 °C
PSA: 32.26000
LogP: 2.11730
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Specification

The Benzenemethanamine,N-hydroxy-a-methyl-, with the CAS registry number 2912-98-3, has the systematic name of N-hydroxy-1-phenylethanamine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H11NO.

The characteristics of Benzenemethanamine,N-hydroxy-a-methyl- are as followings: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 8; (6)ACD/BCF (pH 7.4): 11; (7)ACD/KOC (pH 5.5): 138; (8)ACD/KOC (pH 7.4): 187; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 32.26 Å2; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 40.935 cm3; (15)Molar Volume: 129.321 cm3; (16)Polarizability: 16.228×10-24cm3; (17)Surface Tension: 40.992 dyne/cm; (18)Density: 1.061 g/cm3; (19)Flash Point: 117.221 °C; (20)Enthalpy of Vaporization: 51.579 kJ/mol; (21)Boiling Point: 250.858 °C at 760 mmHg; (22)Vapour Pressure: 0.011 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ONC(c1ccccc1)C
(2)InChI: InChI=1/C8H11NO/c1-7(9-10)8-5-3-2-4-6-8/h2-7,9-10H,1H3
(3)InChIKey: RRJRFNUPXQLYHX-UHFFFAOYAO