Product Name

  • Name

    TERT-BUTYL 4-[4-[(METHYLAMINO)METHYL]-1,3-THIAZOL-2-YL]PIPERIDINE-1-CARBOXYLATE

  • EINECS
  • CAS No. 869901-03-1
  • Density 1.139 g/cm3
  • Solubility
  • Melting Point 43 °C
  • Formula C15H25N3O2S
  • Boiling Point 421 °C at 760 mmHg
  • Molecular Weight 311.44
  • Flash Point 208.4 °C
  • Transport Information
  • Appearance
  • Safety 45
  • Risk Codes 25
  • Molecular Structure Molecular Structure of 869901-03-1 (TERT-BUTYL 4-[4-[(METHYLAMINO)METHYL]-1,3-THIAZOL-2-YL]PIPERIDINE-1-CARBOXYLATE)
  • Hazard Symbols T
  • Synonyms TERT-BUTYL 4-[4-[(METHYLAMINO)METHYL]-1,3-THIAZOL-2-YL]PIPERIDINE-1-CARBOXYLATE;4-(4-[(METHYLAMINO)METHYL]-1,3-THIAZOL-2-YL)PIPERIDINE, N1-BOC PROTECTED;4-{4-[(Methylamino)methyl]-1,3-thiazol-2-yl}piperidine, N1-BOC protected 97%;N1-BOC- 4-{4-[(METHYLAMINO)METHYL]-1,3-THIAZOL-2-YL}PIPERIDINE
  • PSA 82.70000
  • LogP 3.30580

1-Piperidinecarboxylicacid, 4-[4-[(methylamino)methyl]-2-thiazolyl]-, 1,1-dimethylethyl ester Specification

The 1-Piperidinecarboxylicacid, 4-[4-[(methylamino)methyl]-2-thiazolyl]-, 1,1-dimethylethyl ester is an organic compound with the formula C15H25N3O2S. With the CAS registry number 869901-03-1, the systematic name of this chemical is tert-butyl 4-{4-[(methylamino)methyl]-1,3-thiazol-2-yl}piperidine-1-carboxylate.

Physical properties about 1-Piperidinecarboxylicacid, 4-[4-[(methylamino)methyl]-2-thiazolyl]-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.73; (2)ACD/LogD (pH 5.5): -0.44; (3)ACD/LogD (pH 7.4): 1.24; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 3.93; (6)ACD/KOC (pH 5.5): 1.4; (7)ACD/KOC (pH 7.4): 67.15; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 73.91 Å2; (12)Index of Refraction: 1.538; (13)Molar Refractivity: 85.5 cm3; (14)Molar Volume: 273.2 cm3; (15)Polarizability: 33.89×10-24cm3; (16)Surface Tension: 45 dyne/cm; (17)Density: 1.139 g/cm3; (18)Flash Point: 208.4 °C; (19)Enthalpy of Vaporization: 67.5 kJ/mol; (20)Boiling Point: 421 °C at 760 mmHg; (21)Vapour Pressure: 2.69E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N2CCC(c1nc(cs1)CNC)CC2
(2)InChI: InChI=1/C15H25N3O2S/c1-15(2,3)20-14(19)18-7-5-11(6-8-18)13-17-12(9-16-4)10-21-13/h10-11,16H,5-9H2,1-4H3
(3)InChIKey: UFZBVEUXBGOJAQ-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C15H25N3O2S/c1-15(2,3)20-14(19)18-7-5-11(6-8-18)13-17-12(9-16-4)10-21-13/h10-11,16H,5-9H2,1-4H3
(5)Std. InChIKey: UFZBVEUXBGOJAQ-UHFFFAOYSA-N

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