3-(trifluoromethoxy)benzylamine - CAS 93071-75-1

Name: 3-(trifluoromethoxy)benzylamine
Brand: BOC Sciences
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Catalog:	BB040763
Product Name:	3-(trifluoromethoxy)benzylamine
CAS:	93071-75-1
Synonyms:	[3-(trifluoromethoxy)phenyl]methanamine; [3-(trifluoromethoxy)phenyl]methanamine

Technical Data

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Patents

Computed Properties

IUPAC Name:	[3-(trifluoromethoxy)phenyl]methanamine
Description:	3-(trifluoromethoxy)benzylamine (CAS# 93071-75-1) is a useful research chemical.
Molecular Weight:	191.15
Molecular Formula:	C8H8F3NO
Canonical SMILES:	C1=CC(=CC(=C1)OC(F)(F)F)CN
InChI:	InChI=1S/C8H8F3NO/c9-8(10,11)13-7-3-1-2-6(4-7)5-12/h1-4H,5,12H2
InChI Key:	TUPUHSXMDIWJQT-UHFFFAOYSA-N
Boiling Point:	192.5 °C at 760 mmHg
Purity:	98 %
Density:	1.34 g/cm³
MDL:	MFCD00061267
LogP:	2.74420

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Related Functional Groups

Amines and Anilines

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[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1820736-42-2]C11H11ClF3N3
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
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[1250876-38-0]C8H14N4
1-Cyclopentyl-1H-pyrazole-3,5-diamine
[1951441-75-0]C8H13ClN2O
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2021170797-A1	PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS	20200226
WO-2021160109-A1	Dihydronaphthyridinone compound, and preparation method therefor and medical use thereof	20200213
WO-2020192562-A1	Substituted heterocyclic amide compound and preparation method therefor and pharmaceutical use thereof	20190322
CN-113508109-A	Substituted heterocyclic amide compound, preparation method and medical application thereof	20190322
WO-2020119896-A1	Heterocyclic inhibitors of atx	20181211

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.05579836
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	191.05579836
Rotatable Bond Count:	2
Topological Polar Surface Area:	35.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1