4-Dodecylaniline - CAS 104-42-7

Catalog:	BB001394
Product Name:	4-Dodecylaniline
CAS:	104-42-7
Synonyms:	4-dodecylaniline

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Computed Properties

IUPAC Name:	4-dodecylaniline
Description:	4-Dodecylaniline (CAS# 104-42-7) is a useful research chemical.
Molecular Weight:	261.45
Molecular Formula:	C18H31N
Canonical SMILES:	CCCCCCCCCCCCC1=CC=C(C=C1)N
InChI:	InChI=1S/C18H31N/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h13-16H,2-12,19H2,1H3
InChI Key:	KLPPPIIIEMUEGP-UHFFFAOYSA-N
Boiling Point:	220-221 °C (15 mmHg)
Melting Point:	35-39 °C
Purity:	95 %
Density:	0.902 g/cm³
Appearance:	White to tan solid
Storage:	Keep in dark place, Inert atmosphere, Room temperature
MDL:	MFCD00007919
LogP:	6.31340

Publication Number	Title	Priority Date
CN-112480408-A	Synthetic method and application of PASP derivative with surface activity	20201202
CN-112280251-A	High-performance amine curing system epoxy asphalt material and preparation method thereof	20201124
JP-6886206-B1	1,4,5,8-Tetraanilinoanthraquinone and its manufacturing method	20200514
CN-113025283-A	Phase-change material, preparation method thereof and electronic component	20191225
JP-2021085002-A	Curable composition and cured product	20191129

PMID	Publication Date	Title	Journal
18590301	20080819	One-pot synthesis of carbon nanotube-polyaniline-gold nanoparticle and carbon nanotube-gold nanoparticle composites by using aromatic amine chemistry	Langmuir : the ACS journal of surfaces and colloids

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GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P301+P312, P330, P391, and P501
Signal Word:	Warning

Complexity:	182
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	261.245649993
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	261.245649993
Rotatable Bond Count:	11
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	7.2