(S)-1-(2,4-Difluorophenyl)ethanamine - CAS 845252-02-0

Catalog:	BB037223
Product Name:	(S)-1-(2,4-Difluorophenyl)ethanamine
CAS:	845252-02-0
Synonyms:	(1S)-1-(2,4-difluorophenyl)ethanamine; (1S)-1-(2,4-difluorophenyl)ethanamine

Technical Data

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Computed Properties

IUPAC Name:	(1S)-1-(2,4-difluorophenyl)ethanamine
Description:	(S)-1-(2,4-Difluorophenyl)ethanamine (CAS# 845252-02-0) is a useful research chemical.
Molecular Weight:	157.16
Molecular Formula:	C8H9F2N
Canonical SMILES:	CC(C1=C(C=C(C=C1)F)F)N
InChI:	InChI=1S/C8H9F2N/c1-5(11)7-3-2-6(9)4-8(7)10/h2-5H,11H2,1H3/t5-/m0/s1
InChI Key:	VBPKWFKAYDHOQW-YFKPBYRVSA-N
Boiling Point:	175.4 °C at 760 mmHg
Density:	1.163 g/cm³
LogP:	2.68480

Publication Number	Title	Priority Date
WO-2021071843-A1	Muscarinic acetylcholine m1 receptor antagonists	20191007
WO-2021055326-A1	Azole-fused pyridazin-3(2h)-one derivatives	20190916
US-2018346450-A1	Trk inhibition	20170531
US-10800760-B2	Trk inhibition	20170531
AU-2017371674-A1	Benzenesulfonamide compounds and their use as therapeutic agents	20161209

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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, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	157.07030562
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	157.07030562
Rotatable Bond Count:	1
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4