alpha-(Trifluoromethyl)-4-methylbenzylamine - CAS 75703-26-3

Catalog:	BB035378
Product Name:	alpha-(Trifluoromethyl)-4-methylbenzylamine
CAS:	75703-26-3
Synonyms:	2,2,2-trifluoro-1-(4-methylphenyl)ethanamine; 2,2,2-trifluoro-1-(4-methylphenyl)ethanamine

Technical Data

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Computed Properties

IUPAC Name:	2,2,2-trifluoro-1-(4-methylphenyl)ethanamine
Description:	alpha-(Trifluoromethyl)-4-methylbenzylamine (CAS# 75703-26-3 ) is a useful research chemical.
Molecular Weight:	189.18
Molecular Formula:	C9H10F3N
Canonical SMILES:	CC1=CC=C(C=C1)C(C(F)(F)F)N
InChI:	InChI=1S/C9H10F3N/c1-6-2-4-7(5-3-6)8(13)9(10,11)12/h2-5,8H,13H2,1H3
InChI Key:	UXPQTBRCSUZWOK-UHFFFAOYSA-N
Boiling Point:	221.2 °C at 760 mmHg
Density:	1.187 g/cm³
LogP:	3.25740

Publication Number	Title	Priority Date
WO-2021202781-A1	N-heteroarylalkyl-2-(heterocyclyl and heterocyclylmethyl) acetamide derivatives as sstr4 agonists	20200331
DE-102016120688-A1	Process for the preparation of fluorinated diazoalkanes	20161028
EP-3315491-A1	Method for the preparation of fluorinated diazoalkanes	20161028
US-2018118664-A1	Process for the Preparation of Fluorinated Diazoalkanes	20161028
EP-2446026-A1	Transaminase reactions	20090622

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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:	159
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:	1
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3