CAS No.198904-84-6,tert-Butyl [[4-(2-pyridinyl)phenyl]methylene]hydrazinecarboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	198904-84-6
Name:	tert-Butyl [[4-(2-pyridinyl)phenyl]methylene]hydrazinecarboxylate
Article Data:	11

Formula:	C₁₇H₁₉N₃O₂
Molecular Weight:	297.357
Synonyms:	Hydrazinecarboxylicacid, [[4-(2-pyridinyl)phenyl]methylene]-, 1,1-dimethylethyl ester (9CI);
EINECS:	631-554-7
Density:	1.1 g/cm³
Appearance:	White solid
PSA:	63.58000
LogP:	3.99810

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Specification

The Hydrazinecarboxylicacid, 2-[[4-(2-pyridinyl)phenyl]methylene]-, 1,1-dimethylethyl ester, with the CAS registry number 198904-84-6, has the systematic name of tert-butyl (2E)-2-[(4-pyridin-2-ylphenyl)methylidene]hydrazinecarboxylate. It is a kind of white solid, and belongs to the following product categories: Aromatics Compounds; Aromatics; Heterocycles. And the molecular formula of the chemical is C₁₇H₁₉N₃O₂.

The characteristics of Hydrazinecarboxylicacid, 2-[[4-(2-pyridinyl)phenyl]methylene]-, 1,1-dimethylethyl ester are as followings: (1)ACD/LogP: 3.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 503; (6)ACD/BCF (pH 7.4): 525; (7)ACD/KOC (pH 5.5): 2949; (8)ACD/KOC (pH 7.4): 3077; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 63.58 Å²; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 87.176 cm³; (15)Molar Volume: 269.921 cm³; (16)Polarizability: 34.559×10^-24cm³; (17)Surface Tension: 39.709 dyne/cm; (18)Density: 1.102 g/cm³.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N\N=C\c2ccc(c1ncccc1)cc2
(2)InChI: InChI=1/C17H19N3O2/c1-17(2,3)22-16(21)20-19-12-13-7-9-14(10-8-13)15-6-4-5-11-18-15/h4-12H,1-3H3,(H,20,21)/b19-12+
(3)InChIKey: PIYYEQIVVRRORO-XDHOZWIPBR