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217313-79-6,MFCD02183581
Catalog No.:AA00BDCS
217313-79-6 | 4-(Aminomethyl)benzimidamide dihydrochloride
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250mg
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$336.00   $235.00
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1g
96%
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$627.00   $439.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00BDCS
Chemical Name:
4-(Aminomethyl)benzimidamide dihydrochloride
CAS Number:
217313-79-6
Molecular Formula:
C8H13Cl2N3
Molecular Weight:
222.1149
MDL Number:
MFCD02183581
IUPAC Name:
4-(aminomethyl)benzenecarboximidamide;dihydrochloride
InChI:
InChI=1S/C8H11N3.2ClH/c9-5-6-1-3-7(4-2-6)8(10)11;;/h1-4H,5,9H2,(H3,10,11);2*1H
InChI Key:
VZQHJODNUJKHBM-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1)C(=N)N.Cl.Cl
Properties
Computed Properties
 
Complexity:
136  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.049g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
222.113g/mol
Monoisotopic Mass:
221.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
217313-79-6 
4-Aminomethyl benzamidine dihydrochloride 
4-aminomethylbenzamidine 2hcl 
SCHEMBL322008 
4-Aminomethylbenzimidamide 2hcl 
CHEMBL3217098 
CTK8I2188 
VZQHJODNUJKHBM-UHFFFAOYSA-N 
BCP04219 
MFCD02183581 
AKOS025402210 
AC-6438 
4-(Aminomethyl)benzimidamide dihydrochloride 
AN-9986 
ACM32797618 
4-aminomethyl benzamidine, dihydrochloride 
4-AMINOmethylbenZAMIDINE dihydrochloride 
ACM217313796 
AS-44387 
SC-73145 
AB0085526 
AX8224404 
A5858 
4-AMINOMETHYL BENZAMIDINE 2HCL 
A29351 
A56060 
EN300-100157 
X-2163 
J-514430 
4-aminomethyl benzamidine dihydrochloride, AldrichCPR 
4-(aminomethyl)benzene-1-carboximidamide dihydrochloride 
CID2756473 
32797-61-8 
4-Aminomethyl benzamidine, 2HCl 
4-(aminomethyl)benzenecarboximidamide Dihydrochloride 
4-(aminomethyl)benzamidine dihydrochloride 
Benzenecarboximidamide, 4-(aminomethyl)-, dihydrochloride 
4-Aminomethylbenzamidinedihydrochloride 
AC1MBTNK 
Literature

Title: Discovery of small molecule CXCR4 antagonists.

Journal: Journal of medicinal chemistry 20071115

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