-
Name
(5-Aminopentyl)(phenylmethoxy)carbamic acid tert-butyl ester
- EINECS
- CAS No. 129245-21-2
- Article Data3
- CAS DataBase
- Density 1.058 g/cm3
- Solubility
- Melting Point
- Formula C17H28N2O3
- Boiling Point 423.605 °C at 760 mmHg
- Molecular Weight 308.421
- Flash Point 209.989 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Carbamicacid, (5-aminopentyl)(phenylmethoxy)-, 1,1-dimethylethyl ester (9CI);
- PSA 64.79000
- LogP 4.18460
(5-Aminopentyl)(phenylmethoxy)carbamic acid tert-butyl ester Specification
The (5-Aminopentyl)(phenylmethoxy)carbamic acid tert-butyl ester with its cas register number is 129245-21-2. It also can be called as Carbamic acid,N-(5-aminopentyl)-N-(phenylmethoxy)-, 1,1-dimethylethyl ester and the Systematic name about this chemical is tert-butyl (5-aminopentyl)(benzyloxy)carbamate.
Physical properties about (5-Aminopentyl)(phenylmethoxy)carbamic acid tert-butyl ester are: (1)ACD/LogD (pH 7.4): 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 2; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 11; (9)Polar Surface Area: 64.79Å2; (10)Index of Refraction: 1.517; (11)Molar Refractivity: 88.24 cm3; (12)Molar Volume: 291.635 cm3; (13)Polarizability: 34.981x10-24cm3; (14)Surface Tension: 40.597 dyne/cm; (15)Enthalpy of Vaporization: 67.796 kJ/mol.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N(OCc1ccccc1)CCCCCN
(2)InChI: InChI=1/C17H28N2O3/c1-17(2,3)22-16(20)19(13-9-5-8-12-18)21-14-15-10-6-4-7-11-15/h4,6-7,10-11H,5,8-9,12-14,18H2,1-3H3
(3)InChIKey: DHJOLNKVLZRNGD-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C17H28N2O3/c1-17(2,3)22-16(20)19(13-9-5-8-12-18)21-14-15-10-6-4-7-11-15/h4,6-7,10-11H,5,8-9,12-14,18H2,1-3H3
(5)Std. InChIKey: DHJOLNKVLZRNGD-UHFFFAOYSA-N
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