Home Aminos 3-({[(2-aminoethyl)carbamoyl]amino}methyl)benzoic acid hydrochloride

3-({[(2-aminoethyl)carbamoyl]amino}methyl)benzoic acid hydrochloride

CAS No.:
1311315-41-9
Catalog Number:
AG01AIL3
Molecular Formula:
C11H16ClN3O3
Molecular Weight:
273.7160
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Product Description
Catalog Number:
AG01AIL3
Chemical Name:
3-({[(2-aminoethyl)carbamoyl]amino}methyl)benzoic acid hydrochloride
CAS Number:
1311315-41-9
Molecular Formula:
C11H16ClN3O3
Molecular Weight:
273.7160
MDL Number:
MFCD18917306
IUPAC Name:
3-[(2-aminoethylcarbamoylamino)methyl]benzoic acid;hydrochloride
InChI:
InChI=1S/C11H15N3O3.ClH/c12-4-5-13-11(17)14-7-8-2-1-3-9(6-8)10(15)16;/h1-3,6H,4-5,7,12H2,(H,15,16)(H2,13,14,17);1H
InChI Key:
JBELIKQPMJHPOK-UHFFFAOYSA-N
SMILES:
NCCNC(=O)NCc1cccc(c1)C(=O)O.Cl
Properties
Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.088g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
273.717g/mol
Monoisotopic Mass:
273.088g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties