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| CAS No.: | 156866-52-3 |
|---|---|
| Name: | TERT-BUTYL N-(4-FORMYLBENZYL)CARBAMATE |
| Article Data: | 29 |
| Molecular Structure: | |
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| Formula: | C13H17NO3 |
| Molecular Weight: | 235.283 |
| 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; |
| Density: | 1.108 g/cm3 |
| Melting Point: | 83 °C |
| Boiling Point: | 389.019 °C at 760 mmHg |
| Flash Point: | 189.072 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | Harmful:; ">  Harmful:; |
| Safety: | 22-26-36/37/39 |
| PSA: | 55.40000 |
| LogP: | 2.91470 |
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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