| CAS Number | 13114-22-2 |
| Catalog Number | AG000VLM(AGN-PC-0NF9FK) |
| Chemical Name | [(4-chlorophenyl)methylidene](methyl)amine |
| IUPAC Name | 1-(4-chlorophenyl)-N-methylmethanimine |
| InChI | InChI=1S/C8H8ClN/c1-10-6-7-2-4-8(9)5-3-7/h2-6H,1H3 |
| InChI Key | MVKUBKNVOVQEAV-UHFFFAOYSA-N |
| MDL Number | MFCD03247304 |
| Molecular Formula | C8H8ClN |
| Molecular Weight | 153.6088 |
| SMILES | CN=CC1=CC=C(Cl)C=C1 |
| Synonyms | 13114-22-2,
N-(p-Chlorobenzylidene)methylamine,
N-[(4-CHLOROPHENYL)METHYLENE]METHANAMINE,
N-methyl-(4-chloro)benzylidene amine,
1-(4-chlorophenyl)-N-methylmethanimine,
Methananime, N-((4-chlorophenyl)methylene)-,
SCHEMBL1613354,
SCHEMBL11260669,
CTK4B7108,
ZINC34621738,
N-(4-CHLOROBENZYLIDENE)METHYLAMINE,
Methanamine,N-[(4-chlorophenyl)methylene]-,
Methanamine, N-[(4-chlorophenyl)methylene]-,
N-[(E)-(4-chlorophenyl)methylidene]methanamine,
C8H8ClN,
C8-H8-Cl-N,
CID11062589,
1-(4-chlorophenyl)-N-methyl-methanimine,
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| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.609g/mol |
| Monoisotopic Mass | 153.035g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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