tert-Butyl 7-amino-4,4-dimethyl-3,4-dihydroisoquinoline-2(1H)-carboxylate supplier

Name
tert-butyl 7-amino-4,4-dimethyl-3,4-dihydroisoquinoline-2(1H)-carboxylate
EINECS
CAS No. 645418-66-2
Article Data4
CAS DataBase
Density 1.083 g/cm³
Solubility
Melting Point
Formula C₁₆H₂₄N₂O₂
Boiling Point 396.795 °C at 760 mmHg
Molecular Weight 276.379
Flash Point 193.775 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 7-Amino-4,4-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxylicacid tert-butyl ester;
PSA 55.56000
LogP 3.81620

tert-Butyl 7-amino-4,4-dimethyl-3,4-dihydroisoquinoline-2(1H)-carboxylate Specification

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

Product Name

tert-butyl 7-amino-4,4-dimethyl-3,4-dihydroisoquinoline-2(1H)-carboxylate

tert-Butyl 7-amino-4,4-dimethyl-3,4-dihydroisoquinoline-2(1H)-carboxylate Specification

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