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Home Other Building Blocks N-(3-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine

N-(3-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine

CAS No.:
305341-58-6
Catalog Number:
AG019K8T
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
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Product Description
Catalog Number:
AG019K8T
Chemical Name:
N-(3-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CAS Number:
305341-58-6
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
MDL Number:
MFCD02694535
IUPAC Name:
N-(3-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
InChI:
InChI=1S/C13H18N2O/c1-16-12-7-5-6-11(10-12)15-13-8-3-2-4-9-14-13/h5-7,10H,2-4,8-9H2,1H3,(H,14,15)
InChI Key:
ASLXWGDYFXXKLG-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)NC1=NCCCCC1
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.142g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.3g/mol
Monoisotopic Mass:
218.142g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties