Home Aminos 3-methyl-2-{[(3-methylphenyl)methyl]amino}butanoic acid hydrochloride

3-methyl-2-{[(3-methylphenyl)methyl]amino}butanoic acid hydrochloride

CAS No.:
1396964-02-5
Catalog Number:
AG019UNE
Molecular Formula:
C13H20ClNO2
Molecular Weight:
257.7564
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Product Description
Catalog Number:
AG019UNE
Chemical Name:
3-methyl-2-{[(3-methylphenyl)methyl]amino}butanoic acid hydrochloride
CAS Number:
1396964-02-5
Molecular Formula:
C13H20ClNO2
Molecular Weight:
257.7564
MDL Number:
MFCD11798838
IUPAC Name:
3-methyl-2-[(3-methylphenyl)methylamino]butanoic acid;hydrochloride
InChI:
InChI=1S/C13H19NO2.ClH/c1-9(2)12(13(15)16)14-8-11-6-4-5-10(3)7-11;/h4-7,9,12,14H,8H2,1-3H3,(H,15,16);1H
InChI Key:
RIURKBAUEGFJPO-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)O)NCc1cccc(c1)C)C.Cl
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.118g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
257.758g/mol
Monoisotopic Mass:
257.118g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties