CAS 14545-23-4 | Benzen-2,3,4,5,6-d5-amine-d2 | CAS Number 14545-23-4

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14545-23-4 | Benzen-2,3,4,5,6-d5-amine-d2

CAS No: 14545-23-4 Catalog No: AG001D2G MDL No:MFCD00084117

Product Description

Catalog Number:

AG001D2G

Chemical Name:

Benzen-2,3,4,5,6-d5-amine-d2

CAS Number:

14545-23-4

Molecular Formula:

C6D7N

Molecular Weight:

100.1696

MDL Number:

MFCD00084117

IUPAC Name:

N,N,2,3,4,5,6-heptadeuterioaniline

InChI:

InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2/i1D,2D,3D,4D,5D/hD2

InChI Key:

PAYRUJLWNCNPSJ-LQHBDRBESA-N

SMILES:

N([2H])(c1c([2H])c([2H])c(c(c1[2H])[2H])[2H])[2H]

EC Number:

238-580-4

Properties

Complexity:

46.1

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

100.102g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

100.172g/mol

Monoisotopic Mass:

100.102g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9

Literature

Title	Journal
Structure-function relationships in high-density docosylsilane bonded stationary phases by Raman spectroscopy and comparison to octadecylsilane bonded stationary phases: effects of aromatic compounds.	Journal of chromatography. A 20080606
Ruthenium-catalyzed intermolecular coupling reactions of arylamines with ethylene and 1,3-dienes: mechanistic insight on hydroamination vs ortho-C-H bond activation.	Organic letters 20050526