Home Halogens (4-butoxy-3-chlorophenyl)methanamine

(4-butoxy-3-chlorophenyl)methanamine

CAS No.:
744971-16-2
Catalog Number:
AG01B1GF
Molecular Formula:
C11H16ClNO
Molecular Weight:
213.7038
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Product Description
Catalog Number:
AG01B1GF
Chemical Name:
(4-butoxy-3-chlorophenyl)methanamine
CAS Number:
744971-16-2
Molecular Formula:
C11H16ClNO
Molecular Weight:
213.7038
MDL Number:
MFCD14656261
IUPAC Name:
(4-butoxy-3-chlorophenyl)methanamine
InChI:
InChI=1S/C11H16ClNO/c1-2-3-6-14-11-5-4-9(8-13)7-10(11)12/h4-5,7H,2-3,6,8,13H2,1H3
InChI Key:
IPZBXZNXQLVYQF-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1Cl)CN
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.092g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
213.705g/mol
Monoisotopic Mass:
213.092g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties