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CAS No.: | 374064-00-3 |
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Name: | 4-AMINO-1-PYRIDIN-2-YLBUTAN-1-ONE OXIME MONOHYDROCHLORIDE |
Molecular Structure: | |
Formula: | C9H14ClN3O |
Molecular Weight: | 215.68 |
Synonyms: | 1-Butanone,4-amino-1-(2-pyridinyl)-, oxime, monohydrochloride (9CI);4-amino-1-(2-pyridyl)butan-1-one oxime hydrochloride;(1E)-4-Amino-1-(2-pyridinyl)-1-butanonoximhydrochlorid(1:1);(4E)-4-(Hydroxyimino)-4-(2-pyridinyl)-1-butanamine chlorhydrate (1:1); |
Boiling Point: | 384.8 °C at 760 mmHg |
Flash Point: | 186.5 °C |
Hazard Symbols: | Xi |
PSA: | 71.50000 |
LogP: | 2.50110 |
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The 1-Butanone,4-amino-1-(2-pyridinyl)-, oxime, hydrochloride (1:1), with the CAS registry number 374064-00-3, has the systematic name of 4-amino-1-(2-pyridyl)butan-1-one oxime hydrochloride. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H14ClN3O.
The characteristics of 1-Butanone,4-amino-1-(2-pyridinyl)-, oxime, hydrochloride (1:1) are as followings: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 4; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 6; (5)Polar Surface Area: 71.5 Å2; (6)Flash Point: 186.5 °C; (7)Enthalpy of Vaporization: 66.82 kJ/mol; (8)Boiling Point: 384.8 °C at 760 mmHg; (9)Vapour Pressure: 1.31E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1ccnc(c1)C(=NO)CCCN.Cl
(2)InChI: InChI=1/C9H13N3O.ClH/c10-6-3-5-9(12-13)8-4-1-2-7-11-8;/h1-2,4,7,13H,3,5-6,10H2;1H/b12-9+;
(3)InChIKey: SSOXNHMQXXYQKV-NBYYMMLRBM