| CAS Number | 90485-18-0 |
| Catalog Number | AG019MMH |
| Chemical Name | 1-(4-Bromophenyl)propan-1-amine hydrochloride |
| IUPAC Name | 1-(4-bromophenyl)propan-1-amine;hydrochloride |
| InChI | InChI=1S/C9H12BrN.ClH/c1-2-9(11)7-3-5-8(10)6-4-7;/h3-6,9H,2,11H2,1H3;1H |
| InChI Key | KTHQPQZHRFCWEX-UHFFFAOYSA-N |
| MDL Number | MFCD10686922 |
| Molecular Formula | C9H13BrClN |
| Molecular Weight | 250.5632 |
| SMILES | CCC(C1=CC=C(C=C1)Br)N.Cl |
| Synonyms | 1-(4-bromophenyl)propan-1-amine hydrochloride,
90485-18-0,
(S)-1-(4-bromophenyl)propan-1-amine hydrochloride,
1391577-97-1,
AC1Q39MZ,
SCHEMBL4934399,
CTK6C8047,
NE49552,
AK172711,
AK607954,
1-(4-BROMOPHENYL)PROPAN-1-AMINE HCL,
EN300-36611,
(R)-1-(4-Bromophenyl)propan-1-amine hydrochloride,
856562-96-4,
|
| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.564g/mol |
| Monoisotopic Mass | 248.992g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number