Carbamic acid,N-[(4-formylphenyl)methyl]-, 1,1-dimethylethyl ester supplier

Name
TERT-BUTYL N-(4-FORMYLBENZYL)CARBAMATE
EINECS
CAS No. 156866-52-3
Article Data29
CAS DataBase
Density 1.108 g/cm³
Solubility
Melting Point 83 °C
Formula C₁₃H₁₇NO₃
Boiling Point 389.019 °C at 760 mmHg
Molecular Weight 235.283
Flash Point 189.072 °C
Transport Information
Appearance
Safety 22-26-36/37/39
Risk Codes Harmful:;
Molecular Structure
Hazard Symbols Xn
Synonyms Carbamicacid, [(4-formylphenyl)methyl]-, 1,1-dimethylethyl ester (9CI);(4-Formylbenzyl)carbamic acid tert-butyl ester;N-(4-Formylbenzyl)carbamic acid tert-butyl ester;tert-Butyl4-formylbenzylcarbamate;tert-Butyl N-(4-formylbenzyl)carbamate;(4-Formylbenzyl)carbamic acidtert-butyl ester;
PSA 55.40000
LogP 2.91470

Carbamic acid,N-[(4-formylphenyl)methyl]-, 1,1-dimethylethyl ester Specification

The Carbamic acid,N-[(4-formylphenyl)methyl]-, 1,1-dimethylethyl ester is an organic compound with the formula C₁₃H₁₇NO₃. The IUPAC name of this chemical is Tert-butyl N-[(4-formylphenyl)methyl]carbamate. With the CAS registry number 156866-52-3, it is also named as Tert-butyl 4-formylbenzylcarbamate. Besides, its molecular weight is 235.28.

Physical properties about Carbamic acid,N-[(4-formylphenyl)methyl]-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.52; (2)ACD/LogD (pH 5.5): 1.524; (3)ACD/LogD (pH 7.4): 1.524; (4)ACD/BCF (pH 5.5): 8.478; (5)ACD/BCF (pH 7.4): 8.478; (6)ACD/KOC (pH 5.5): 160.727; (7)ACD/KOC (pH 7.4): 160.722; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 55.4 Å²; (12)Index of Refraction: 1.538; (13)Molar Refractivity: 66.422 cm³; (14)Molar Volume: 212.29 cm³; (15)Polarizability: 26.332×10^-24 cm³; (16)Surface Tension: 40.594 dyne/cm; (17)Density: 1.108 g/cm³; (18)Flash Point: 189.072 °C; (19)Enthalpy of Vaporization: 63.83 kJ/mol; (20)Boiling Point: 389.019 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C13H17NO3/c1-13(2,3)17-12(16)14-8-10-4-6-11(9-15)7-5-10/h4-7,9H,8H2,1-3H3,(H,14,16)
(2)InChIKey: HRJJBEIFHFVBRT-UHFFFAOYAL
(3)Std. InChI: InChI=1S/C13H17NO3/c1-13(2,3)17-12(16)14-8-10-4-6-11(9-15)7-5-10/h4-7,9H,8H2,1-3H3,(H,14,16)
(4)Std. InChIKey: HRJJBEIFHFVBRT-UHFFFAOYSA-N

Product Name

TERT-BUTYL N-(4-FORMYLBENZYL)CARBAMATE

Carbamic acid,N-[(4-formylphenyl)methyl]-, 1,1-dimethylethyl ester Specification

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