3-Methyl-1-(p-tolyl)triazene - CAS 21124-13-0

Catalog:	BB016622
Product Name:	3-Methyl-1-(p-tolyl)triazene
CAS:	21124-13-0
Synonyms:	4-methyl-N-(methyldiazenyl)aniline

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Computed Properties

IUPAC Name:	4-methyl-N-(methyldiazenyl)aniline
Description:	3-Methyl-1-(p-tolyl)triazene (CAS# 21124-13-0) is an akylating, mutagenic and organ-specific carcinogen.
Molecular Weight:	149.19
Molecular Formula:	C8H11N3
Canonical SMILES:	CC1=CC=C(C=C1)NN=NC
InChI:	InChI=1S/C8H11N3/c1-7-3-5-8(6-4-7)10-11-9-2/h3-6H,1-2H3,(H,9,10)
InChI Key:	DNGJVDGPCGXBFF-UHFFFAOYSA-N
Boiling Point:	215.5 ℃ at 760 mmHg
Density:	1.02 g/cm³
Solubility:	Other solvents(Soluble) : Ether
MDL:	MFCD00008282
LogP:	2.60400

Publication Number	Title	Priority Date
CN-113201804-A	Fiber and preparation method thereof	20210521
CN-113249816-A	Transparent fiber and preparation method thereof	20210521
CN-112939915-A	Diamine monomer for photosensitive resin, polyimide precursor, photosensitive resin composition, and use thereof	20210205
EP-3812767-A1	Method for preparing analysis sample, analysis method, and kit for preparing analysis sample	20191021
CN-112763286-A	Method for preparing sample for analysis, method for analysis, and kit for preparing sample for analysis	20191021

PMID	Publication Date	Title	Journal
17372994	20070101	Rapid and simple solid-phase esterification of sialic acid residues for quantitative glycomics by mass spectrometry	Chemistry (Weinheim an der Bergstrasse, Germany)

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P308+P313, P312, P322, P330, P363, P405, and P501
Signal Word:	Warning

Complexity:	125
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	149.095297364
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	149.095297364
Rotatable Bond Count:	2
Topological Polar Surface Area:	36.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7