CAS 102690-88-0|Bis(2-cyanoethyl) di(prop-2-yl)phosphoramidoite|Bis(2-cyanoethyl) N,N-bis(isopropyl)phosphoramidite|3-{[(2-cyanoethoxy)(diisopropylamino)phosphanyl]oxy}propanenitrile|Bis(2-cyanoethy...

General Information

Structure

Molecular Formula

C₁₂H₂₂N₃O₂P

Molecular Mass

271.295741

Exact Mass

271.14496359

Charge

InChI

InChI=1S/C12H22N3O2P/c1-11(2)15(12(3)4)18(16-9-5-7-13)17-10-6-8-14/h11-12H,5-6,9-10H2,1-4H3

InChIKey

LDHWBEHZLFDXCU-UHFFFAOYSA-N

Canonic Smiles

CC(N(P(OCCC#N)OCCC#N)C(C)C)C

Isomeric Smiles

N(C(C)C)(P(OCCC#N)OCCC#N)C(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.8746856

LogD (pH = 7.4)

-0.32444942

Log P

1.1348

Molar Refractivity

72.6846

Polarizability

28.179426

Polar Surface Area

69.28

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

Bis(2-cyanoethyl) di(prop-2-yl)phosphoramidoiteBis(2-cyanoethyl) N,N-bis(isopropyl)phosphoramiditeBis(2-cyanoethyl) N,N-diisopropylphosphoramiditeBis(2-cyanoethoxy)(diisopropylamino)phosphine, Bis(2-cyanoethoxy)-N,N-diisopropylaminophosphineBis(2-cyanoethyl)-N,N-diisopropyl Phosphoramidite

IUPAC Traditional name

3-{[(2-cyanoethoxy)(diisopropylamino)phosphanyl]oxy}propanenitrile

IUPAC name

3-({[bis(propan-2-yl)amino](2-cyanoethoxy)phosphanyl}oxy)propanenitrile

Names and Identifiers

Registration numbers

CAS Number

102690-88-0

MDL Number

MFCD00797597

PubChem SID

162075636