| CAS Number | 1251923-47-3 |
| Catalog Number | AG01A9WC |
| Chemical Name | 4-amino-4-(3,4-dichlorophenyl)butanoic acid hydrochloride |
| IUPAC Name | 4-amino-4-(3,4-dichlorophenyl)butanoic acid;hydrochloride |
| InChI | InChI=1S/C10H11Cl2NO2.ClH/c11-7-2-1-6(5-8(7)12)9(13)3-4-10(14)15;/h1-2,5,9H,3-4,13H2,(H,14,15);1H |
| InChI Key | UBGCSEQWVMTFOL-UHFFFAOYSA-N |
| MDL Number | MFCD16817468 |
| Molecular Formula | C10H12Cl3NO2 |
| Molecular Weight | 284.5668 |
| SMILES | Cl.NC(C1=CC(Cl)=C(Cl)C=C1)CCC(O)=O |
| Synonyms | 4-amino-4-(3,4-dichlorophenyl)butanoic acid hydrochloride,
1251923-47-3,
AC1Q3CV9,
AKOS030702923,
MCULE-6633635504,
NE33060,
EN300-66354,
Z1222331413,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.993g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.561g/mol |
| Monoisotopic Mass | 282.993g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number