CAS No.168169-11-7,Carbamic acid,N-(4-bromo-1-naphthalenyl)-, 1,1-dimethylethyl ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	168169-11-7
Name:	Carbamic acid,N-(4-bromo-1-naphthalenyl)-, 1,1-dimethylethyl ester
Article Data:	5

Formula:	C₁₅H₁₆BrNO₂
Molecular Weight:	322.19704
Synonyms:	Carbamicacid, (4-bromo-1-naphthalenyl)-, 1,1-dimethylethyl ester (9CI);(4-Bromonaphthalen-1-yl)carbamic acid tert-butyl ester;N-(tert-Butoxycarbonyl)-4-bromo-1-naphthylamine;N-Boc-1-amino-4-bromonaphthalene;N-Boc-4-bromo-1-naphthylamine;
Density:	1.408g/cm³
Melting Point:	129-133°C
Boiling Point:	375.867 °C at 760 mmHg
Flash Point:	181.118 °C
PSA:	38.33000
LogP:	5.02230

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Specification

The Carbamic acid,N-(4-bromo-1-naphthalenyl)-, 1,1-dimethylethyl ester, with CAS registry number 168169-11-7, belongs to the following product categories: (1)Blocks; (2)Bromides. It has the systematic name of tert-butyl (4-bromonaphthalen-1-yl)carbamate. And the chemical formula of this chemical is C₁₅H₁₆BrNO₂.

Physical properties of Carbamic acid,N-(4-bromo-1-naphthalenyl)-, 1,1-dimethylethyl ester: (1)ACD/LogP: 4.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 7408; (6)ACD/BCF (pH 7.4): 7408; (7)ACD/KOC (pH 5.5): 20488; (8)ACD/KOC (pH 7.4): 20488; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.33 Å²; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 81.667 cm³; (15)Molar Volume: 228.748 cm³; (16)Polarizability: 32.375×10^-24cm³; (17)Surface Tension: 47.163 dyne/cm; (18)Density: 1.409 g/cm³; (19)Flash Point: 181.118 °C; (20)Enthalpy of Vaporization: 62.344 kJ/mol; (21)Boiling Point: 375.867 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)Nc2c1ccccc1c(Br)cc2
(2)InChI: InChI=1/C15H16BrNO2/c1-15(2,3)19-14(18)17-13-9-8-12(16)10-6-4-5-7-11(10)13/h4-9H,1-3H3,(H,17,18)
(3)InChIKey: HAJAGHHFQDXDEY-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C15H16BrNO2/c1-15(2,3)19-14(18)17-13-9-8-12(16)10-6-4-5-7-11(10)13/h4-9H,1-3H3,(H,17,18)
(5)Std. InChIKey: HAJAGHHFQDXDEY-UHFFFAOYSA-N