(S)-1-(3-Bromophenyl)ethylamine - CAS 139305-96-7

Catalog:	BB008921
Product Name:	(S)-1-(3-Bromophenyl)ethylamine
CAS:	139305-96-7
Synonyms:	(1S)-1-(3-bromophenyl)ethanamine; (1S)-1-(3-bromophenyl)ethanamine

Technical Data

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Computed Properties

IUPAC Name:	(1S)-1-(3-bromophenyl)ethanamine
Description:	(S)-1-(3-Bromophenyl)ethylamine (CAS# 139305-96-7) is a useful research chemical.
Molecular Weight:	200.08
Molecular Formula:	C8H10BrN
Canonical SMILES:	CC(C1=CC(=CC=C1)Br)N
InChI:	InChI=1S/C8H10BrN/c1-6(10)7-3-2-4-8(9)5-7/h2-6H,10H2,1H3/t6-/m0/s1
InChI Key:	LIBZHYLTOAGURM-LURJTMIESA-N
Boiling Point:	96 °C / 4 mmHg
Density:	1.4 g/cm³
Appearance:	Colorless clear liquid
MDL:	MFCD00671638
LogP:	3.16910

Publication Number	Title	Priority Date
WO-2021072198-A1	Oral complement factor d inhibitors	20191009
WO-2021002986-A2	Bax inhibitors and uses thereof	20190531
US-2019345135-A1	Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors	20180406
WO-2019195720-A1	Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors	20180406
BR-112020019183-A2	BENZOFURANO, BENZOPIRROL, BENZOTIOFENO REPLACED AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS	20180406

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GHS Hazard Statement:	H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P273, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P391, P405, and P501
Signal Word:	Danger

Complexity:	105
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	198.99966
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	198.99966
Rotatable Bond Count:	1
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9