N-amino-1-3-(3,4-dimethylphenyl)carbamimidamidomethanimidamide hydrochloride|N-amino-1-3-(3,4-dimethylphenyl)carbamimidamidomethanimidamide hydrochloride|N-(3,4-Dimethylphenyl)-N'-[hydrazino(imino)-...

General Information

Structure

Molecular Formula

C₁₀H₁₇ClN₆

Molecular Mass

256.73518

Exact Mass

256.12032225

Charge

InChI

InChI=1S/C10H16N6.ClH/c1-6-3-4-8(5-7(6)2)14-9(11)15-10(12)16-13;/h3-5H,13H2,1-2H3,(H5,11,12,14,15,16);1H

InChIKey

CRUFRHCCSKBUSH-UHFFFAOYSA-N

Canonic Smiles

NNC(=N)NC(=N)Nc1ccc(c(c1)C)C.Cl

Isomeric Smiles

c1(c(cc(cc1)NC(=N)NC(=N)NN)C)C.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-3.02752

LogD (pH = 7.4)

-1.296826

Log P

1.5212635

Molar Refractivity

97.9657

Polarizability

23.828644

Polar Surface Area

109.81

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

N-amino-1-3-(3,4-dimethylphenyl)carbamimidamidomethanimidamide hydrochloride

IUPAC Traditional name

N-amino-1-3-(3,4-dimethylphenyl)carbamimidamidomethanimidamide hydrochloride

Synonyms

N-(3,4-Dimethylphenyl)-N'-[hydrazino(imino)-methyl]guanidine hydrochlorideN-(3,4-dimethylphenyl)-N'-[hydrazino(imino)methyl]guanidine hydrochlorideN'-Amino-N-(3,4-dimethylphenyl)biguanidine hydrochlorideN-(3,4-Dimethylphenyl)-N'-[hydrazino(imino)methyl]guanidine hydrochloride

Names and Identifiers

Registration numbers

MDL Number

MFCD09027118

PubChem CID

24213872

PubChem SID

162049019

Registration numbers

Properties

Safety Information

TSCA Listed