1-(3-Bromophenyl)ethylamine Hydrochloride - CAS 90151-46-5
Catalog: |
BB039776 |
Product Name: |
1-(3-Bromophenyl)ethylamine Hydrochloride |
CAS: |
90151-46-5 |
Synonyms: |
1-(3-bromophenyl)ethanamine;hydrochloride; 1-(3-bromophenyl)ethanamine;hydrochloride |
IUPAC Name: | 1-(3-bromophenyl)ethanamine;hydrochloride |
Description: | 1-(3-Bromophenyl)ethylamine Hydrochloride (CAS# 90151-46-5) is a useful research chemical. |
Molecular Weight: | 236.54 |
Molecular Formula: | C8H11BrClN |
Canonical SMILES: | CC(C1=CC(=CC=C1)Br)N.Cl |
InChI: | InChI=1S/C8H10BrN.ClH/c1-6(10)7-3-2-4-8(9)5-7;/h2-6H,10H2,1H3;1H |
InChI Key: | JEZBIRPQFCGDRY-UHFFFAOYSA-N |
LogP: | 3.97110 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020308122-A1 | Novel non-systemic tgr5 agonists | 20160701 |
EP-1421079-A1 | Novel compounds | 20010725 |
EP-1421079-B1 | Thiophenyl compounds as medicaments | 20010725 |
US-2004235821-A1 | Novel compounds | 20010725 |
US-7098240-B2 | Compounds | 20010725 |
Complexity: | 105 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.97634 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.97634 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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