Home Other Building Blocks 2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]aniline

2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]aniline

CAS No.:
1041561-44-7
Catalog Number:
AG01AA5B
Molecular Formula:
C13H21N3O
Molecular Weight:
235.3253
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Product Description
Catalog Number:
AG01AA5B
Chemical Name:
2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]aniline
CAS Number:
1041561-44-7
Molecular Formula:
C13H21N3O
Molecular Weight:
235.3253
MDL Number:
MFCD11121421
IUPAC Name:
2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]aniline
InChI:
InChI=1S/C13H21N3O/c1-15-5-7-16(8-6-15)10-11-3-4-13(17-2)12(14)9-11/h3-4,9H,5-8,10,14H2,1-2H3
InChI Key:
BHTYPSWTPJXAEL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1N)CN1CCN(CC1)C
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.168g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.331g/mol
Monoisotopic Mass:
235.168g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
41.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties