8-N-Boc-5,6,7,8-Tetrahydro-1,8-naphthyridin-2-butylamine supplier

Name
8-N-BOC-5,6,7,8-TETRAHYDRO-1,8-NAPHTHYRIDIN-2-BUTYLAMINE
EINECS
CAS No. 886362-42-1
Density 1.101 g/cm³
Solubility
Melting Point
Formula C₁₇H₂₇N₃O₂
Boiling Point 453.7 °C at 760 mmHg
Molecular Weight 305.41
Flash Point 228.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 8-N-Boc-5,6,7,8-Tetrahydro-1,8-naphthyridin-2-butylamine;
PSA 68.45000
LogP 3.81600

8-N-Boc-5,6,7,8-Tetrahydro-1,8-naphthyridin-2-butylamine Specification

The systematic name of 8-N-Boc-5,6,7,8-Tetrahydro-1,8-naphthyridin-2-butylamine is tert-Butyl 7-(4-aminobutyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate. With the CAS registry number 886362-42-1, it is also named as 1,8-Naphthyridine-1(2H)-carboxylicacid, 7-(4-aminobutyl)-3,4-dihydro-, 1,1-dimethylethyl ester. In addition, its molecular formula is C₁₇H₂₇N₃O₂ and its molecular weight is 305.41.

The other characteristics of 8-N-Boc-5,6,7,8-Tetrahydro-1,8-naphthyridin-2-butylamine can be summarized as: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)H bond acceptors: 5; (4)H bond donors: 2; (5)Freely Rotating Bonds: 7; (6)Polar Surface Area: 68.45 Å²; (7)Index of Refraction: 1.541; (8)Molar Refractivity: 87.24 cm³; (9)Molar Volume: 277.2 cm³; (10)Polarizability: 34.58×10^-24cm³; (11)Surface Tension: 46.7 dyne/cm; (12)Density: 1.101 g/cm³; (13)Flash Point: 228.2 °C; (14)Enthalpy of Vaporization: 71.32 kJ/mol; (15)Boiling Point: 453.7 °C at 760 mmHg; (16)Vapour Pressure: 2.02E-08 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:CC(C)(C)OC(=O)N2CCCc1ccc(nc12)CCCCN
(2)InChI:InChI=1/C17H27N3O2/c1-17(2,3)22-16(21)20-12-6-7-13-9-10-14(19-15(13)20)8-4-5-11-18/h9-10H,4-8,11-12,18H2,1-3H3
(3)InChIKey:UUFXZJQRVTXTHX-UHFFFAOYAW
(4)Std. InChI:InChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)20-12-6-7-13-9-10-14(19-15(13)20)8-4-5-11-18/h9-10H,4-8,11-12,18H2,1-3H3
(5)Std. InChIKey:UUFXZJQRVTXTHX-UHFFFAOYSA-N

Product Name

8-N-BOC-5,6,7,8-TETRAHYDRO-1,8-NAPHTHYRIDIN-2-BUTYLAMINE

8-N-Boc-5,6,7,8-Tetrahydro-1,8-naphthyridin-2-butylamine Specification

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