| Identification | |
| Name: | Carbamic acid,[2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methylpentyl]-, phenylmethyl ester,(S)- (9CI) |
| Synonyms: | Benzyl tert-butyl [(2S)-4-methylpentane-1,2-diyl]biscarbamate;(S)-[2-[[(tert-Butoxy)carbonyl]amino]-4-methylpentyl]carbamic acid benzyl ester; |
| CAS: | 115654-39-2 |
| Molecular Formula: | C19H30 N2 O4 |
| Molecular Weight: | 350.45 |
| InChI: | InChI=1/C19H30N2O4/c1-14(2)11-16(21-18(23)25-19(3,4)5)12-20-17(22)24-13-15-9-7-6-8-10-15/h6-10,14,16H,11-13H2,1-5H3,(H,20,22)(H,21,23)/t16-/m0/s1 |
| Molecular Structure: | ![(C19H30N2O4) Benzyl tert-butyl [(2S)-4-methylpentane-1,2-diyl]biscarbamate;(S)-[2-[[(tert-Butoxy)carbonyl]amino]-...](https://img1.guidechem.com/chem/e/dict/71/115654-39-2.jpg) |
| Properties | |
| Density: | 1.064 |
| Refractive index: | 1.503 |
| Specification: |
The (S)-[2-[[(tert-Butoxy)carbonyl]amino]-4-methylpentyl]carbamic acid benzyl ester, with the cas registry number 115654-39-2, has the systematic name of tert-butyl N-[(1S)-1-(benzyloxycarbonylaminomethyl)-3-methyl-butyl]carbamate. And the molecular formula of the chemical is C19H30N2O4. The characteristics of this chemical are as followings: (1)ACD/LogP: 4.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.69; (4)ACD/LogD (pH 7.4): 4.69; (5)ACD/BCF (pH 5.5): 2172.61; (6)ACD/BCF (pH 7.4): 2172.52; (7)ACD/KOC (pH 5.5): 8515.45; (8)ACD/KOC (pH 7.4): 8515.1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 76.66 Å2; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 97.38 cm3; (15)Molar Volume: 329.2 cm3; (16)Polarizability: 38.6×10-24cm3; (17)Surface Tension: 37.8 dyne/cm; (18)Density: 1.064 g/cm3; (19)Flash Point: 251.8 °C; (20)Enthalpy of Vaporization: 75.98 kJ/mol; (21)Boiling Point: 492.8 °C at 760 mmHg; (22)Vapour Pressure: 7.43E-10 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
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