Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
tert-Butyl 7-amino-4,4-dimethyl-3,4-dihydroisoquinoline-2(1H)-carboxylate |
EINECS | N/A |
CAS No. | 645418-66-2 | Density | 1.083 g/cm3 |
PSA | 55.56000 | LogP | 3.81620 |
Solubility | N/A | Melting Point |
N/A |
Formula | C16H24N2O2 | Boiling Point | 396.795 °C at 760 mmHg |
Molecular Weight | 276.379 | Flash Point | 193.775 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
7-Amino-4,4-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxylicacid tert-butyl ester; |
Article Data | 4 |
The CAS registry number of 2(1H)-Isoquinolinecarboxylicacid, 7-amino-3,4-dihydro-4,4-dimethyl-,1,1-dimethylethyl ester is 645418-66-2. The IUPAC name is tert-butyl 7-amino-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxylate. In addition, the molecular formula is C16H24N2O2 and the molecular weight is 276.37. What's more, it belongs to the class of Chiral Chemicals. And should be stored in a cool and dry place.
Physical properties about 2(1H)-Isoquinolinecarboxylicacid, 7-amino-3,4-dihydro-4,4-dimethyl-,1,1-dimethylethyl ester are: (1)ACD/LogP: 2.50; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 56; (5)ACD/BCF (pH 7.4): 66; (6)ACD/KOC (pH 5.5): 589; (7)ACD/KOC (pH 7.4): 695; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 55.56 Å2; (12)Index of Refraction: 1.542; (13)Molar Refractivity: 80.366 cm3; (14)Molar Volume: 255.201 cm3; (15)Polarizability: 31.86 ×10-24cm3; (16)Surface Tension: 40.896 dyne/cm; (17)Density: 1.083 g/cm3; (18)Flash Point: 193.775 °C; (19)Enthalpy of Vaporization: 64.715 kJ/mol; (20)Boiling Point: 396.795 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N2Cc1cc(N)ccc1C(C)(C)C2
(2)InChI: InChI=1/C16H24N2O2/c1-15(2,3)20-14(19)18-9-11-8-12(17)6-7-13(11)16(4,5)10-18/h6-8H,9-10,17H2,1-5H3
(3)InChIKey: AIHKRQNBHDKCFX-UHFFFAOYAN