Home Carboxys 2-(1-aminopropyl)-1H-imidazole-4-carboxylic acid dihydrochloride

2-(1-aminopropyl)-1H-imidazole-4-carboxylic acid dihydrochloride

CAS No.:
2031268-81-0
Catalog Number:
AG01B7EF
Molecular Formula:
C7H13Cl2N3O2
Molecular Weight:
242.1030
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Product Description
Catalog Number:
AG01B7EF
Chemical Name:
2-(1-aminopropyl)-1H-imidazole-4-carboxylic acid dihydrochloride
CAS Number:
2031268-81-0
Molecular Formula:
C7H13Cl2N3O2
Molecular Weight:
242.1030
MDL Number:
MFCD30345290
IUPAC Name:
2-(1-aminopropyl)-1H-imidazole-5-carboxylic acid;dihydrochloride
InChI:
InChI=1S/C7H11N3O2.2ClH/c1-2-4(8)6-9-3-5(10-6)7(11)12;;/h3-4H,2,8H2,1H3,(H,9,10)(H,11,12);2*1H
InChI Key:
XLRHAYBPOAHKNL-UHFFFAOYSA-N
SMILES:
CCC(c1[nH]cc(n1)C(=O)O)N.Cl.Cl
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.038g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
242.1g/mol
Monoisotopic Mass:
241.038g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties