N-Methyldiphenylamine - CAS 552-82-9

Name: N-Methyldiphenylamine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB028982
Product Name:	N-Methyldiphenylamine
CAS:	552-82-9
Synonyms:	N-methyl-N-phenylaniline

Technical Data

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Computed Properties

IUPAC Name:	N-methyl-N-phenylaniline
Description:	N-Methyldiphenylamine (CAS# 552-82-9) is a useful isotopically labeled research compound.
Molecular Weight:	183.25
Molecular Formula:	C13H13N
Canonical SMILES:	CN(C1=CC=CC=C1)C2=CC=CC=C2
InChI:	InChI=1S/C13H13N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
InChI Key:	DYFFAVRFJWYYQO-UHFFFAOYSA-N
Boiling Point:	296-297 °C
Density:	1.05 g/cm³
Appearance:	Clear yellow liquid
MDL:	MFCD00041900
LogP:	3.45450

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Related Functional Groups

Nitrogen Compounds

[937273-31-9]C12H14ClNO4
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1170836-25-5]C8H11N3O2
1-Cyclopentyl-5-nitro-1H-pyrazole
[55877-31-1]C9H5NO
1-Benzofuran-3-carbonitrile
[2241982-86-3]C9H6ND3
3-(Phenyl-2-D)propanenitrile-2,2-D2
[514801-07-1]C13H12ClN3O4
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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CN-113087725-A	Diazosulfide deuterated derivative and application thereof in organic electronic device	20210406
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PMID	Publication Date	Title	Journal
22416929	20120406	Enhanced photochemical [6π] electrocyclization within the lipophilic protein binding site	Organic letters
18198851	20080214	Photoinduced oxygen uptake of diphenylamines in solution and their ring closure revisited	The journal of physical chemistry. A
15977282	20050819	Site-isolated porphyrin catalysts in imprinted polymers	Chemistry (Weinheim an der Bergstrasse, Germany)
15962942	20050601	Prediction of genotoxicity of chemical compounds by statistical learning methods	Chemical research in toxicology
18969178	20031017	Investigations into the catalytic activity of rhodium(III) in red-ox reactions by capillary zone electrophoresis	Talanta

Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.104799419
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	183.104799419
Rotatable Bond Count:	2
Topological Polar Surface Area:	3.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.9