| CAS Number | 1004284-08-5 |
| Catalog Number | AG0001YP(AGN-PC-06NUQJ) |
| Chemical Name | 1-(2,4-Dichlorophenyl)butan-2-amine |
| IUPAC Name | 1-(2,4-dichlorophenyl)butan-2-amine |
| InChI | InChI=1S/C10H13Cl2N/c1-2-9(13)5-7-3-4-8(11)6-10(7)12/h3-4,6,9H,2,5,13H2,1H3 |
| InChI Key | MXSWGTIGKBARQA-UHFFFAOYSA-N |
| MDL Number | MFCD11937066 |
| Molecular Formula | C10H13Cl2N |
| Molecular Weight | 218.1229 |
| SMILES | CCC(CC1=C(Cl)C=C(Cl)C=C1)N |
| Synonyms | 1-(2,4-dichlorophenyl)butan-2-amine,
1004284-08-5,
AC1Q2SJC,
MFCD11937066,
AKOS008135558,
MCULE-5456095209,
Benzeneethanamine, 2,4-dichloro-alpha-ethyl-,
EN300-73072,
(S)-tert-butyl1-amino-3-tert-butoxy-1-oxopropan-2-ylcarbamate,
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| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.121g/mol |
| Monoisotopic Mass | 217.043g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number