N-tert-Butyl-3,5-dimethylaniline - CAS 110993-40-3

Catalog:	BB002697
Product Name:	N-tert-Butyl-3,5-dimethylaniline
CAS:	110993-40-3
Synonyms:	N-tert-butyl-3,5-dimethylaniline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	N-tert-butyl-3,5-dimethylaniline
Description:	N-tert-Butyl-3,5-dimethylaniline (CAS# 110993-40-3) is used as a reactant in the preparation of a trisamidomolybdenum(VI) propylidyne complex as a highly active catalyst precursor for alkyne metathesis.
Molecular Weight:	177.29
Molecular Formula:	C12H19N
Canonical SMILES:	CC1=CC(=CC(=C1)NC(C)(C)C)C
InChI:	InChI=1S/C12H19N/c1-9-6-10(2)8-11(7-9)13-12(3,4)5/h6-8,13H,1-5H3
InChI Key:	HMWHVIXDKZHDEO-UHFFFAOYSA-N
Boiling Point:	70 ℃ / 0.8 mmHg
Density:	0.901 g/mL at 25℃
Appearance:	Liquid
MDL:	MFCD07440135
LogP:	3.58680

Publication Number	Title	Priority Date
WO-2021182152-A1	(poly)alkylene-glycol-containing compound	20200312
WO-2020116549-A1	(poly)alkylene glycol-containing compound	20181205
WO-2020116550-A1	(poly)alkylene glycol-containing compound	20181205
EP-3892666-A1	(poly)alkylene glycol-containing compound	20181205
US-10479793-B2	Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses	20151118

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	147
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.151749610
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	177.151749610
Rotatable Bond Count:	2
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6