Name: [4-[(Hydroxyamino)carbonyl]phenyl]carbamic acid [6-[(diethylamino)methyl]-2-naphthalenyl]methyl ester
SKU: 497833-27-9

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Basic Information

Molecular Structure:
CAS No.:	497833-27-9
Name:	[4-[(Hydroxyamino)carbonyl]phenyl]carbamic acid [6-[(diethylamino)methyl]-2-naphthalenyl]methyl ester
Article Data:	1

Formula:	C₂₄H₂₇N₃O₄
Molecular Weight:	421.496
Synonyms:	{6-[(diethylamino)methyl]naphthalen-2-yl}methyl [4-(hydroxycarbamoyl)phenyl]carbamate;
Density:	1.26 g/cm³
PSA:	90.90000
LogP:	5.01320

Total:19 Page 1 of 1 1

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Specification

The [4-[(Hydroxyamino)carbonyl]phenyl]carbamic acid [6-[(diethylamino)methyl]-2-naphthalenyl]methyl ester with the CAS number 497833-27-9 is also called {6-[(diethylamino)methyl]naphthalen-2-yl}methyl [4-(hydroxycarbamoyl)phenyl]carbamate. Its molecular formula is C₂₄H₂₇N₃O₄. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the [4-[(Hydroxyamino)carbonyl]phenyl]carbamic acid [6-[(diethylamino)methyl]-2-naphthalenyl]methyl ester are: (1)ACD/LogP: 2.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 2; (8)ACD/KOC (pH 7.4): 12; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 90.9 Å²; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 122.294 cm³; (15)Molar Volume: 334.632 cm³; (16)Polarizability: 48.481×10^-24cm³; (17)Surface Tension: 56.731 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc2cc1ccc(cc1cc2)CN(CC)CC)Nc3ccc(cc3)C(=O)NO
(2)InChI: InChI=1/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
(3)InChIKey: YALNUENQHAQXEA-UHFFFAOYAG