1-(3-Pyrrol-1-ylphenyl)ethanamine hydrochloride - CAS 1431970-23-8
Catalog: |
BB042970 |
Product Name: |
1-(3-Pyrrol-1-ylphenyl)ethanamine hydrochloride |
CAS: |
1431970-23-8 |
Synonyms: |
AKOS024392516; MCULE-1429474086; 1-(3-Pyrrol-1-ylphenyl)ethanamine HCl |
IUPAC Name: | 1-(3-pyrrol-1-ylphenyl)ethanamine;hydrochloride |
Description: | 1-(3-Pyrrol-1-ylphenyl)ethanamine hydrochloride (CAS# 1431970-23-8 ) is a useful research chemical. |
Molecular Weight: | 222.71 |
Molecular Formula: | C12H15ClN2 |
Canonical SMILES: | CC(C1=CC(=CC=C1)N2C=CC=C2)N.Cl |
InChI: | InChI=1S/C12H14N2.ClH/c1-10(13)11-5-4-6-12(9-11)14-7-2-3-8-14;/h2-10H,13H2,1H3;1H |
InChI Key: | YHBDLDPIHUFSOC-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 175 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.0923762 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.0923762 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 31 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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