Basic Information | Post buying leads | Suppliers |
Name |
tert-Butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate |
EINECS | -0 |
CAS No. | 171049-41-5 | Density | 1.145 g/cm3 |
PSA | 55.56000 | LogP | 3.08110 |
Solubility | N/A | Melting Point |
59-61 °C |
Formula | C14H20N2O2 | Boiling Point | 394.736 °C at 760 mmHg |
Molecular Weight | 248.325 | Flash Point | 192.53 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 61 | Risk Codes | 22-50 |
Molecular Structure | Hazard Symbols | Xn,N | |
Synonyms |
7-Amino-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline;7-Amino-2-(tert-butyloxycarbonyl)-1,2,3,4-tetrahydroisoquinoline;7-Amino-2-Boc-1,2,3,4-tetrahydroisoquinoline;7-Amino-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butylester;tert-Butyl7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate; |
The 2(1H)-Isoquinolinecarboxylic acid, 7-amino-3,4-dihydro-,1,1-dimethylethyl ester, with CAS registry number 171049-41-5, belongs to the following product category: Pharmacetical. It has the systematic name of tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate. And the chemical formula of this chemical is C14H20N2O2.
Physical properties of 2(1H)-Isoquinolinecarboxylic acid, 7-amino-3,4-dihydro-,1,1-dimethylethyl ester: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 9; (6)ACD/BCF (pH 7.4): 11; (7)ACD/KOC (pH 5.5): 162; (8)ACD/KOC (pH 7.4): 190; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.56 Å2; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 71.045 cm3; (15)Molar Volume: 216.786 cm3; (16)Polarizability: 28.164×10-24cm3; (17)Surface Tension: 47.44 dyne/cm; (18)Density: 1.145 g/cm3; (19)Flash Point: 192.53 °C; (20)Enthalpy of Vaporization: 64.48 kJ/mol; (21)Boiling Point: 394.736 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1Cc2cc(N)ccc2CC1
(2)InChI: InChI=1/C14H20N2O2/c1-14(2,3)18-13(17)16-7-6-10-4-5-12(15)8-11(10)9-16/h4-5,8H,6-7,9,15H2,1-3H3
(3)InChIKey: AGRBXKCSGCUXST-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-7-6-10-4-5-12(15)8-11(10)9-16/h4-5,8H,6-7,9,15H2,1-3H3
(5)Std. InChIKey: AGRBXKCSGCUXST-UHFFFAOYSA-N