| CAS Number | 39959-69-8 |
| Catalog Number | AG00CLUB(AGN-PC-0RLBWE) |
| Chemical Name | 1-(3-Chlorophenyl)ethanamine, HCl |
| IUPAC Name | 1-(3-chlorophenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C8H10ClN.ClH/c1-6(10)7-3-2-4-8(9)5-7;/h2-6H,10H2,1H3;1H |
| InChI Key | UZDXSKJUCKLUON-UHFFFAOYSA-N |
| MDL Number | MFCD22383688 |
| Molecular Formula | C8H11Cl2N |
| Molecular Weight | 192.0856 |
| SMILES | CC(N)C1=CC=CC(Cl)=C1.[H]Cl |
| Synonyms | 1-(3-Chlorophenyl)ethanamine, HCl,
39959-69-8,
1-(3-chlorophenyl)ethan-1-amine hydrochloride,
1-(3-chlorophenyl)ethanamine hydrochloride,
SCHEMBL1002485,
UZDXSKJUCKLUON-UHFFFAOYSA-N,
1-(3-Chlorophenyl)ethanamine HCl,
MFCD22383688,
AKOS026673685,
4CH-019572,
V5733,
B-8382,
(1R)-1-(3-chlorophenyl)ethanamine;hydrochloride,
(1S)-1-(3-chlorophenyl)ethanamine;hydrochloride,
C8H10ClN.HCl,
(R)-1-(3-Chlorophenyl)ethanamine hydrochloride,
(S)-1-(3-Chlorophenyl)ethanamine hydrochloride,
1167414-90-5,
1213318-20-7,
|
| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.083g/mol |
| Monoisotopic Mass | 191.027g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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