Home Aminos methyl 4-amino-4-(4-methoxyphenyl)butanoate hydrochloride

methyl 4-amino-4-(4-methoxyphenyl)butanoate hydrochloride

CAS No.:
1423027-92-2
Catalog Number:
AG01A3EL
Molecular Formula:
C12H18ClNO3
Molecular Weight:
259.7292
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Product Description
Catalog Number:
AG01A3EL
Chemical Name:
methyl 4-amino-4-(4-methoxyphenyl)butanoate hydrochloride
CAS Number:
1423027-92-2
Molecular Formula:
C12H18ClNO3
Molecular Weight:
259.7292
MDL Number:
MFCD22741255
IUPAC Name:
methyl 4-amino-4-(4-methoxyphenyl)butanoate;hydrochloride
InChI:
InChI=1S/C12H17NO3.ClH/c1-15-10-5-3-9(4-6-10)11(13)7-8-12(14)16-2;/h3-6,11H,7-8,13H2,1-2H3;1H
InChI Key:
FJHTYPYPIGSWSH-UHFFFAOYSA-N
SMILES:
COC(=O)CCC(c1ccc(cc1)OC)N.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:
2  
Isotope Atom Count:
0
Molecular Weight:
259.73g/mol
Monoisotopic Mass:
259.098g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties