Home Aminos 4-amino-3-[4-(methoxymethyl)phenyl]butanoic acid hydrochloride

4-amino-3-[4-(methoxymethyl)phenyl]butanoic acid hydrochloride

CAS No.:
2138289-91-3
Catalog Number:
AG01ELJF
Molecular Formula:
C12H18ClNO3
Molecular Weight:
259.7292
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Product Description
Catalog Number:
AG01ELJF
Chemical Name:
4-amino-3-[4-(methoxymethyl)phenyl]butanoic acid hydrochloride
CAS Number:
2138289-91-3
Molecular Formula:
C12H18ClNO3
Molecular Weight:
259.7292
MDL Number:
MFCD31449513
IUPAC Name:
4-amino-3-[4-(methoxymethyl)phenyl]butanoic acid;hydrochloride
InChI:
InChI=1S/C12H17NO3.ClH/c1-16-8-9-2-4-10(5-3-9)11(7-13)6-12(14)15;/h2-5,11H,6-8,13H2,1H3,(H,14,15);1H
InChI Key:
YTGMGSVNLSFOAM-UHFFFAOYSA-N
SMILES:
COCc1ccc(cc1)C(CC(=O)O)CN.Cl
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.098g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
259.73g/mol
Monoisotopic Mass:
259.098g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties