Home Aminos 2-amino-4-(azepan-1-ylmethyl)phenol dihydrobromide

2-amino-4-(azepan-1-ylmethyl)phenol dihydrobromide

CAS No.:
1240528-30-6
Catalog Number:
AG01A9P7
Molecular Formula:
C13H22Br2N2O
Molecular Weight:
382.1346
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Product Description
Catalog Number:
AG01A9P7
Chemical Name:
2-amino-4-(azepan-1-ylmethyl)phenol dihydrobromide
CAS Number:
1240528-30-6
Molecular Formula:
C13H22Br2N2O
Molecular Weight:
382.1346
MDL Number:
MFCD16622181
IUPAC Name:
2-amino-4-(azepan-1-ylmethyl)phenol;dihydrobromide
InChI:
InChI=1S/C13H20N2O.2BrH/c14-12-9-11(5-6-13(12)16)10-15-7-3-1-2-4-8-15;;/h5-6,9,16H,1-4,7-8,10,14H2;2*1H
InChI Key:
PLZTUKZCJAXJKG-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1N)CN1CCCCCC1.Br.Br
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.008g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
382.14g/mol
Monoisotopic Mass:
380.01g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties