| CAS Number | 84499-77-4 |
| Catalog Number | AG00G3LW(AGN-PC-0URZAW) |
| Chemical Name | 1-(4-Bromophenyl)ethylamine hydrochloride |
| IUPAC Name | (1S)-1-(4-bromophenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C8H10BrN.ClH/c1-6(10)7-2-4-8(9)5-3-7;/h2-6H,10H2,1H3;1H/t6-;/m0./s1 |
| InChI Key | BQCAANUXMMQVAY-RGMNGODLSA-N |
| MDL Number | MFCD11841191 |
| Molecular Formula | C8H11BrClN |
| Molecular Weight | 236.5366 |
| SMILES | C[C@H](N)C1=CC=C(Br)C=C1.[H]Cl |
| Synonyms | (S)-1-(4-bromophenyl)ethanamine hydrochloride,
84499-77-4,
(S)-1-(4-bromophenyl)ethanamine-HCl,
1-(4-BROMOPHENYL)ETHYLAMINE HYDROCHLORIDE,
C8H10BrN.ClH,
SCHEMBL9900692,
CTK8E1424,
BQCAANUXMMQVAY-RGMNGODLSA-N,
CS-M0647,
KS-00001E9A,
2956AH,
FT-0645584,
S-1018,
(S)-1-(4-bromophenyl)ethanamine(Hydrochloride),
(1S)-1-(4-bromophenyl)ethan-1-amine hydrochloride,
(S)-(-)-1-(4-Bromophenyl)ethylamine hydrochloride,
ACN-030732,
(S)-1-(4-Bromophenyl)ethanaminehydrochloride,
(S)-1-(4-bromophenyl)ethanamine (Hydrochloride),
|
| Complexity | 97.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.537g/mol |
| Monoisotopic Mass | 234.976g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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