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177721-97-0 | Benzenemethanamine, 4-chloro-N-cyclobutyl-
CAS No: 177721-97-0 Catalog No: AG0025HC MDL No:MFCD09263644
Product Description
Catalog Number:
AG0025HC
Chemical Name:
Benzenemethanamine, 4-chloro-N-cyclobutyl-
CAS Number:
177721-97-0
Molecular Formula:
C11H14ClN
Molecular Weight:
195.6886
MDL Number:
MFCD09263644
IUPAC Name:
N-[(4-chlorophenyl)methyl]cyclobutanamine
InChI:
InChI=1S/C11H14ClN/c12-10-6-4-9(5-7-10)8-13-11-2-1-3-11/h4-7,11,13H,1-3,8H2
InChI Key:
FFQPTSKQNZIDCJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)CNC1CCC1
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.081g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.69g/mol
Monoisotopic Mass:
195.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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