Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Hydroxyazepane-1-carboxylic acid tert-butyl ester |
EINECS | N/A |
CAS No. | 478832-21-2 | Density | 1.079 g/cm3 |
PSA | 25.78000 | LogP | 2.90610 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H21NO3 | Boiling Point | 310.6 °C at 760 mmHg |
Molecular Weight | 215.293 | Flash Point | 141.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 45 | Risk Codes | 25 |
Molecular Structure | Hazard Symbols | T | |
Synonyms |
1-(tert-Butoxycarbonyl)-4-hydroxyazepan;1-(tert-Butoxycarbonyl)azepan-4-ol;tert-Butyl 4-hydroxyazepan-1-carboxylate;tert-Butyl4-hydroxyazepane-1-carboxylate;tert-Butyl4-hydroxyhexahydro-1H-azepine-1-carboxylate; |
Article Data | 14 |
The 4-Hydroxyazepane-1-carboxylic acid tert-butyl ester with cas registry number of 478832-21-2, its systematic name is tert-butyl 4-hydroxyazepane-1-carboxylate. And it is also named 1H-Azepine-1-carboxylic acid, hexahydro-4-hydroxy-, 1,1-dimethylethyl ester.
Physical properties of 4-Hydroxyazepane-1-carboxylic acid tert-butyl ester: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/LogD (pH 7.4): 0.88; (5)ACD/BCF (pH 5.5): 2.73; (6)ACD/BCF (pH 7.4): 2.73; (7)ACD/KOC (pH 5.5): 71.39; (8)ACD/KOC (pH 7.4): 71.39; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49.77 Å2; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 57.64 cm3; (15)Molar Volume: 199.4 cm3; (16)Polarizability: 22.85×10-24cm3; (17)Surface Tension: 40.8 dyne/cm; (18)Enthalpy of Vaporization: 63.95 kJ/mol; (19)Vapour Pressure: 5.3E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:CC(C)(C)OC(=O)N1CCCC(O)CC1;
(2)InChI:InChI=1/C11H21NO3/c1-11(2,3)15-10(14)12-7-4-5-9(13)6-8-12/h9,13H,4-8H2,1-3H3;
(3)InChIKey:CRFSWDBNKHNGGA-UHFFFAOYAW;
(4)Std. InChI:InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-7-4-5-9(13)6-8-12/h9,13H,4-8H2,1-3H3;
(5)Std. InChIKey:CRFSWDBNKHNGGA-UHFFFAOYSA-N.