| CAS Number | 1017371-23-1 |
| Catalog Number | AG019SEH |
| Chemical Name | 3-Amino-2-[(2-chlorophenyl)methyl]propan-1-ol |
| IUPAC Name | 2-(aminomethyl)-3-(2-chlorophenyl)propan-1-ol |
| InChI | InChI=1S/C10H14ClNO/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-4,8,13H,5-7,12H2 |
| InChI Key | ZJCFZTZTDDOOES-UHFFFAOYSA-N |
| MDL Number | MFCD09894885 |
| Molecular Formula | C10H14ClNO |
| Molecular Weight | 199.6773 |
| SMILES | NCC(CC1=C(Cl)C=CC=C1)CO |
| Synonyms | 3-amino-2-[(2-chlorophenyl)methyl]propan-1-ol,
1017371-23-1,
AKOS005218317,
MCULE-6601529508,
NE50326,
EN300-93314,
Z1269702423,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.678g/mol |
| Monoisotopic Mass | 199.076g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number