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Home Aminos 4-{[ethyl(propan-2-yl)amino]methyl}benzoic acid hydrochloride

4-{[ethyl(propan-2-yl)amino]methyl}benzoic acid hydrochloride

CAS No.:
1240527-20-1
Catalog Number:
AG01A97K
Molecular Formula:
C13H20ClNO2
Molecular Weight:
257.7564
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Product Description
Catalog Number:
AG01A97K
Chemical Name:
4-{[ethyl(propan-2-yl)amino]methyl}benzoic acid hydrochloride
CAS Number:
1240527-20-1
Molecular Formula:
C13H20ClNO2
Molecular Weight:
257.7564
MDL Number:
MFCD16547666
IUPAC Name:
4-[[ethyl(propan-2-yl)amino]methyl]benzoic acid;hydrochloride
InChI:
InChI=1S/C13H19NO2.ClH/c1-4-14(10(2)3)9-11-5-7-12(8-6-11)13(15)16;/h5-8,10H,4,9H2,1-3H3,(H,15,16);1H
InChI Key:
IZWAPTOYUOCZGX-UHFFFAOYSA-N
SMILES:
CCN(C(C)C)Cc1ccc(cc1)C(=O)O.Cl
Properties
Complexity:
220  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
257.758g/mol
Monoisotopic Mass:
257.118g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties