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Name |
Carbamic acid,N-[(4-formylphenyl)methyl]-, 1,1-dimethylethyl ester |
EINECS | N/A |
CAS No. | 156866-52-3 | Density | 1.108 g/cm3 |
PSA | 55.40000 | LogP | 2.91470 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
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; |
Article Data | 29 |
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