CAS 137-09-7 | Phenol, 2,4-diamino-, hydrochloride (1:2) | CAS Number 137-09-7

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137-09-7 | Phenol, 2,4-diamino-, hydrochloride (1:2)

CAS No: 137-09-7 Catalog No: AG0012OI MDL No:MFCD00012979

Product Description

Catalog Number:

AG0012OI

Chemical Name:

Phenol, 2,4-diamino-, hydrochloride (1:2)

CAS Number:

137-09-7

Molecular Formula:

C6H10Cl2N2O

Molecular Weight:

197.0624

MDL Number:

MFCD00012979

IUPAC Name:

2,4-diaminophenol;dihydrochloride

InChI:

InChI=1S/C6H8N2O.2ClH/c7-4-1-2-6(9)5(8)3-4;;/h1-3,9H,7-8H2;2*1H

InChI Key:

KQEIJFWAXDQUPR-UHFFFAOYSA-N

SMILES:

Nc1ccc(c(c1)N)O.Cl.Cl

EC Number:

205-279-4

UNII:

T1IYY101NX

UN Number:

2811

Properties

Complexity:

97.1

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

196.017g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

197.059g/mol

Monoisotopic Mass:

196.017g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Investigation of the early-response genes in chemical-induced renal carcinogenicity for the prediction of chemical carcinogenicity in rats.	The Journal of toxicological sciences 20170101
Simple, rapid reagent-injection spectrophotometric determination of fluorides in pharmaceutical formulations.	Journal of pharmaceutical and biomedical analysis 20010701