1-(4-(1h-Pyrrol-1-yl)phenyl)ethanamine - CAS 832738-08-6

Catalog:	BB046096
Product Name:	1-(4-(1h-Pyrrol-1-yl)phenyl)ethanamine
CAS:	832738-08-6
Synonyms:	1-[4-(1H-pyrrol-1-yl)phenyl]ethanamine; 1-[4-(1h-pyrrol-1-yl)phenyl]ethan-1-amine; 1-(4-Pyrrol-1-yl-phenyl)-ethylamine

Technical Data

Computed Properties

IUPAC Name:	1-(4-pyrrol-1-ylphenyl)ethanamine
Description:	1-(4-(1h-Pyrrol-1-yl)phenyl)ethanamine (CAS# 832738-08-6 ) is a useful research chemical.
Molecular Weight:	186.25
Molecular Formula:	C12H14N2
Canonical SMILES:	CC(C1=CC=C(C=C1)N2C=CC=C2)N
InChI:	InChI=1S/C12H14N2/c1-10(13)11-4-6-12(7-5-11)14-8-2-3-9-14/h2-10H,13H2,1H3
InChI Key:	LMLXFODTRVVPKY-UHFFFAOYSA-N
Boiling Point:	306.7±25.0 °C at 760 mmHg
Density:	1.1±0.1 g/cm³

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Related Functional Groups

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Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.115698455
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	186.115698455
Rotatable Bond Count:	2
Topological Polar Surface Area:	31
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3