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N-Methyl-2,2,2-trifluoroethylamine Hydrochloride

N-Methyl-2,2,2-trifluoroethylamine Hydrochloride - CAS 2730-52-1

Catalog:	BB019523
Product Name:	N-Methyl-2,2,2-trifluoroethylamine Hydrochloride
CAS:	2730-52-1
Synonyms:	2,2,2-trifluoro-N-methylethanamine;hydrochloride; 2,2,2-trifluoro-N-methylethanamine;hydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,2,2-trifluoro-N-methylethanamine;hydrochloride
Description:	N-Methyl-2,2,2-trifluoroethylamine Hydrochloride (CAS# 2730-52-1) is a useful research chemical.
Molecular Weight:	149.54
Molecular Formula:	C3H7ClF3N
Canonical SMILES:	CNCC(F)(F)F.Cl
InChI:	InChI=1S/C3H6F3N.ClH/c1-7-2-3(4,5)6;/h7H,2H2,1H3;1H
InChI Key:	CUOWKFXFKFXJEL-UHFFFAOYSA-N
Boiling Point:	67.8 °C at 760 mmHg
MDL:	MFCD08448126
LogP:	1.96100

Publication Number	Title	Priority Date
WO-2020187877-A1	Isomerisation reaction	20190321
EP-3837235-A1	Isomerisation reaction	20190321
WO-2020120697-A1	Pesticidally-active cyanamide heterocyclic compounds	20181214
TW-202028178-A	Pesticidally-active cyanamide heterocyclic compounds	20181214
WO-2020078909-A1	Cyclopropyl ring opening by alpha alkylation of an aldehyde with a polycyclic olefin	20181016

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Related Functional Groups

Amines and Anilines

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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, P312, P322, P330, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	48.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	149.0219114
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	149.0219114
Rotatable Bond Count:	1
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0