N-Methyl-4-(trifluoromethyl)benzylamine - CAS 90390-11-7

Catalog:	BB039837
Product Name:	N-Methyl-4-(trifluoromethyl)benzylamine
CAS:	90390-11-7
Synonyms:	N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine; N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine

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Computed Properties

IUPAC Name:	N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
Description:	N-Methyl-4-(trifluoromethyl)benzylamine (CAS# 90390-11-7) is a useful research chemical.
Molecular Weight:	189.18
Molecular Formula:	C9H10F3N
Canonical SMILES:	CNCC1=CC=C(C=C1)C(F)(F)F
InChI:	InChI=1S/C9H10F3N/c1-13-6-7-2-4-8(5-3-7)9(10,11)12/h2-5,13H,6H2,1H3
InChI Key:	YMSMEZAYZIYFGA-UHFFFAOYSA-N
Boiling Point:	187 °C at 760 mmHg
Density:	1.149 g/cm³
MDL:	MFCD04115411
LogP:	2.81570

Publication Number	Title	Priority Date
CN-112409224-A	Synthetic method of sulfonamide compound	20201120
WO-2021201036-A1	Hydroxypyrrolidine derivative and medicinal application thereof	20200331
US-2021188807-A1	Compounds active towards nuclear receptors	20191220
WO-2021041588-A1	Substituted pyridopyrimidinonyl compounds useful as t cell activators	20190828
US-2020317677-A1	Novel cyclic trex1 inhibitors	20190408

PMID	Publication Date	Title	Journal
6433022	19840901	Benzylamines: synthesis and evaluation of antimycobacterial properties	Journal of medicinal chemistry

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GHS Hazard Statement:	H302 (50%): 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, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	147
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.07653381
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	189.07653381
Rotatable Bond Count:	2
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2