Structure

TFA C6 amine amidite

CAS
133975-85-6
Catalog Number
ACM133975856-1
Category
Amidites
Molecular Weight
413.42
Molecular Formula
C17H31F3N3O3P

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Specification

Synonyms
5'-Amino-Modifier C6-TFA CE Phosphoramidite; 2-cyanoethyl (6-(2,2,2-trifluoroacetamido)hexyl) diisopropylphosphoramidite
IUPAC Name
N-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexyl]-2,2,2-trifluoroacetamide
SMILES
CC(N(C(C)C)P(OCCC#N)OCCCCCCNC(C(F)(F)F)=O)C
InChI
1S/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)
InChI Key
SMMKTKILBQHSFL-UHFFFAOYSA-N
Storage
Inert atmosphere, store in freezer, under -20°C
Complexity
459
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
EC Number
988-160-6
Formal Charge
0
H-Bond Acceptor
8
H-Bond Donor
1
Heavy Atom Count
27
Isomeric SMILES
CC(C)N(C(C)C)P(OCCCCCCNC(=O)C(F)(F)F)OCCC#N
MDL Number
MFCD00797447
PubChem ID
21896374
Rotatable Bond Count
14
Undefined Atom Stereocenter Count
1
Undefined Bond Stereocenter Count
0

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