| CAS Number | 1227418-18-9 |
| Catalog Number | AG01A3XJ(AGN-PC-0WO878) |
| Chemical Name | [1-(2-chlorophenyl)cyclobutyl]methanamine |
| IUPAC Name | [1-(2-chlorophenyl)cyclobutyl]methanamine |
| InChI | InChI=1S/C11H14ClN/c12-10-5-2-1-4-9(10)11(8-13)6-3-7-11/h1-2,4-5H,3,6-8,13H2 |
| InChI Key | KNKTVPIXEOLSNL-UHFFFAOYSA-N |
| MDL Number | MFCD16169400 |
| Molecular Formula | C11H14ClN |
| Molecular Weight | 195.6886 |
| SMILES | ClC1=C(C=CC=C1)C2(CCC2)CN |
| Synonyms | [1-(2-chlorophenyl)cyclobutyl]methanamine,
1227418-18-9,
1-(2-Chlorophenyl)cyclobutanemethanamine,
(1-(2-chlorophenyl)cyclobutyl)methanamine,
ZINC44269636,
AKOS011050725,
MCULE-8594348776,
NE44987,
SY149953,
MFCD16169400 (95%),
Z1695935990,
|
| Complexity | 177 |
| 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 | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number