Home Aminos methyl 4-[4-(aminomethyl)phenoxy]butanoate hydrochloride

methyl 4-[4-(aminomethyl)phenoxy]butanoate hydrochloride

CAS No.:
916199-35-4
Catalog Number:
AG01AIG9
Molecular Formula:
C12H18ClNO3
Molecular Weight:
259.7292
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Product Description
Catalog Number:
AG01AIG9
Chemical Name:
methyl 4-[4-(aminomethyl)phenoxy]butanoate hydrochloride
CAS Number:
916199-35-4
Molecular Formula:
C12H18ClNO3
Molecular Weight:
259.7292
MDL Number:
MFCD18839072
IUPAC Name:
methyl 4-[4-(aminomethyl)phenoxy]butanoate;hydrochloride
InChI:
InChI=1S/C12H17NO3.ClH/c1-15-12(14)3-2-8-16-11-6-4-10(9-13)5-7-11;/h4-7H,2-3,8-9,13H2,1H3;1H
InChI Key:
OBJFOEWKLPTBPN-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1)OCCCC(=O)OC.Cl
Properties
Complexity:
200  
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:
7  
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties