N,2,6-Trimethylaniline - CAS 767-71-5

Catalog:	BB035695
Product Name:	N,2,6-Trimethylaniline
CAS:	767-71-5
Synonyms:	N,2,6-trimethylaniline; N,2,6-trimethylaniline

Technical Data

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Computed Properties

IUPAC Name:	N,2,6-trimethylaniline
Description:	N,2,6-Trimethylaniline (CAS# 767-71-5) is a useful research chemical compound.
Molecular Weight:	135.21
Molecular Formula:	C9H13N
Canonical SMILES:	CC1=C(C(=CC=C1)C)NC
InChI:	InChI=1S/C9H13N/c1-7-5-4-6-8(2)9(7)10-3/h4-6,10H,1-3H3
InChI Key:	NLGKRVNANIZGNI-UHFFFAOYSA-N
Boiling Point:	223.2 °C at 760 mmHg
Density:	0.955 g/cm³
MDL:	MFCD00613418
LogP:	2.41810

Publication Number	Title	Priority Date
US-2021269376-A1	Processes for isotopic modification of polyunsaturated fatty acids and derivatives thereof	20200221
WO-2021168311-A1	Processes for isotopic modification of polyunsaturated fatty acids and derivatives thereof	20200221
WO-2021065275-A1	Polyphenylene ether composition	20191002
WO-2021050538-A1	Methods and materials for increasing level of phosphorylated ampk protein	20190910
WO-2021022156-A1	Poly(arylene ether) compositions	20190731

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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+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	90.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	135.104799419
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	135.104799419
Rotatable Bond Count:	1
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6