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Name |
Carbamic acid, N-[(1R,2S)-2-hydroxycyclopentyl]-, 1,1-dimethylethyl ester |
EINECS | N/A |
CAS No. | 155837-16-4 | Density | 1.08 g/cm3 |
PSA | 58.56000 | LogP | 1.81540 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H19NO3 | Boiling Point | 320.8 °C at 760 mmHg |
Molecular Weight | 201.26 | Flash Point | 147.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Carbamicacid, (2-hydroxycyclopentyl)-, 1,1-dimethylethyl ester, cis- (9CI);tert-Butyl [(1R,2S)-2-hydroxycyclopentyl]carbamate;tert-Butyl Cis-N-(2-hydroxycyclopentyl)carbamate;Carbamic acid,N-[(1R,2S)-2-hydroxycyclopentyl]-, 1,1-dimethylethyl ester, rel-; |
The Carbamic acid, N-[(1R,2S)-2-hydroxycyclopentyl]-, 1,1-dimethylethyl ester, with the CAS registry number 155837-16-4, is also known as tert-Butyl Cis-N-(2-hydroxycyclopentyl)carbamate. It belongs to the product category of N-Boc. This chemical's molecular formula is C10H19NO3 and molecular weight is 201.26. What's more, its systematic name is tert-Butyl [(1R,2S)-2-hydroxycyclopentyl]carbamate.
Physical properties of Carbamic acid, N-[(1R,2S)-2-hydroxycyclopentyl]-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 3.64; (6)ACD/BCF (pH 7.4): 3.64; (7)ACD/KOC (pH 5.5): 87.68; (8)ACD/KOC (pH 7.4): 87.68; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 58.56 Å2; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 53.3 cm3; (15)Molar Volume: 185.6 cm3; (16)Polarizability: 21.13×10-24cm3; (17)Surface Tension: 39 dyne/cm; (18)Density: 1.08 g/cm3; (19)Flash Point: 147.8 °C; (20)Enthalpy of Vaporization: 65.21 kJ/mol; (21)Boiling Point: 320.8 °C at 760 mmHg; (22)Vapour Pressure: 2.5E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1O
(2)InChI: InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8(7)12/h7-8,12H,4-6H2,1-3H3,(H,11,13)/t7-,8+/m1/s1
(3)InChIKey: CGZQRJSADXRRKN-SFYZADRCSA-N