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CAS No.: | 93-95-8 |
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Name: | 5-(.alpha.-Phenylethyl)semioxamazide |
Molecular Structure: | |
Formula: | C10H13N3O2 |
Molecular Weight: | 207.232 |
Synonyms: | Aceticacid, oxo[(1-phenylethyl)amino]-, hydrazide (9CI);Semioxamazide, 5-(a-methylbenzyl)- (7CI,8CI);5-(a-Methylbenzyl)semioxamazide;5-(a-Phenylethyl)semioxamazide;NSC68640;dl-5-(a-Phenylethyl)semioxamazide;N1-(1-phenylethyl)-2-hydrazino-2-oxoacetamide;5-(α-Methylbenzyl)semioxamazide;acetic acid, 2-oxo-2-[(1-phenylethyl)amino]-, hydrazide; |
Density: | 1.207 g/cm3 |
Melting Point: | 157 °C |
PSA: | 84.22000 |
LogP: | 1.33580 |
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The Acetic acid,2-oxo-2-[(1-phenylethyl)amino]-, hydrazide, with the CAS registry number 93-95-8, has the systematic name and IUPAC name of 2-hydrazinyl-2-oxo-N-(1-phenylethyl)acetamide. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C10H13N3O2.
The characteristics of Acetic acid,2-oxo-2-[(1-phenylethyl)amino]-, hydrazide are as followings: (1)ACD/LogP: 0.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.32; (4)ACD/LogD (pH 7.4): 0.32; (5)ACD/BCF (pH 5.5): 1.02; (6)ACD/BCF (pH 7.4): 1.02; (7)ACD/KOC (pH 5.5): 35.42; (8)ACD/KOC (pH 7.4): 35.4; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.86 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 55.85 cm3; (15)Molar Volume: 171.5 cm3; (16)Polarizability: 22.14×10-24cm3; (17)Surface Tension: 50.4 dyne/cm; (18)Density: 1.207 g/cm3.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(C(=O)NC(c1ccccc1)C)NN
(2)InChI: InChI=1/C10H13N3O2/c1-7(8-5-3-2-4-6-8)12-9(14)10(15)13-11/h2-7H,11H2,1H3,(H,12,14)(H,13,15)
(3)InChIKey: UQXPGBTUPFWHEF-UHFFFAOYAD