CAS No.133975-85-6,5'-AMINO-MODIFIER-C 6-TFA CEP Suppliers

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Basic Information

Molecular Structure:
CAS No.:	133975-85-6
Name:	5'-AMINO-MODIFIER-C 6-TFA CEP

Formula:	C₁₇H₃₁F₃N₃O₃P
Molecular Weight:	413.42
Synonyms:	2-Cyanoethyl 6-(2,2,2-trifluoroacetamido)hexyl diisopropylphosphoramidite;
Boiling Point:	433.696 °C at 760 mmHg
Flash Point:	216.092 °C
PSA:	88.18000
LogP:	4.90878

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Specification

The Phosphoramidous acid,N,N-bis(1-methylethyl)-, 2-cyanoethyl [6-[(2,2,2-trifluoroacetyl)amino]hexyl]ester, with the CAS registry number of 133975-85-6, is also known as 2-Cyanoethyl 6-(2,2,2-trifluoroacetamido)hexyl diisopropylphosphoramidite. Its molecular formula is C₁₇H₃₁F₃N₃O₃P and molecular weight is 413.42. What's more, its systematic name is 2-Cyanoethyl 6-[(trifluoroacetyl)amino]hexyl dipropan-2-ylphosphoramidoite.

Physical properties about the Phosphoramidous acid,N,N-bis(1-methylethyl)-, 2-cyanoethyl [6-[(2,2,2-trifluoroacetyl)amino]hexyl]ester are: (1)ACD/LogP: 3.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 1342; (6)ACD/BCF (pH 7.4): 1375; (7)ACD/KOC (pH 5.5): 5989; (8)ACD/KOC (pH 7.4): 6137; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 88.18 Å²; (13)Flash Point: 216.092 °C; (14)Enthalpy of Vaporization: 68.969 kJ/mol; (15)Boiling Point: 433.696 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)N(C(C)C)P(OCCCCCCNC(=O)C(F)(F)F)OCCC#N
(2) InChI: InChI=1/C17H31F3N3O3P/c1-14(2)23(15(3)4)27(26-13-9-10-21)25-12-8-6-5-7-11-22-16(24)17(18,19)20/h14-15H,5-9,11-13H2,1-4H3,(H,22,24)
(3) InChIKey: SMMKTKILBQHSFL-UHFFFAOYAX