| CAS Number | 1153551-29-1 |
| Catalog Number | AG00966M |
| Chemical Name | [(4-chlorophenyl)(cyclopropyl)methyl](methyl)amine |
| IUPAC Name | 1-(4-chlorophenyl)-1-cyclopropyl-N-methylmethanamine |
| InChI | InChI=1S/C11H14ClN/c1-13-11(8-2-3-8)9-4-6-10(12)7-5-9/h4-8,11,13H,2-3H2,1H3 |
| InChI Key | ZPZKIRQORLADPV-UHFFFAOYSA-N |
| MDL Number | MFCD12179544 |
| Molecular Formula | C11H14ClN |
| Molecular Weight | 195.6886 |
| SMILES | CNC(C1=CC=C(Cl)C=C1)C1CC1 |
| Synonyms | [(4-chlorophenyl)(cyclopropyl)methyl](methyl)amine,
1153551-29-1,
1-(4-chlorophenyl)-1-cyclopropyl-N-methylmethanamine,
SCHEMBL434656,
AKOS009081800,
AM90715,
NE53869,
|
| Complexity | 160 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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