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N-Tosyl-5-methyl-3,4-hexadienylamine

N-Tosyl-5-methyl-3,4-hexadienylamine - CAS 156900-59-3

Catalog:	BB011276
Product Name:	N-Tosyl-5-methyl-3,4-hexadienylamine
CAS:	156900-59-3
Synonyms:	4-methyl-N-(5-methylhexa-3,4-dienyl)benzenesulfonamide

Technical Data

Safety and Hazards

Computed Properties

Description:	N-Tosyl-5-methyl-3,4-hexadienylamine (CAS# 156900-59-3 ) is a useful research chemical.
Molecular Weight:	265.37
Molecular Formula:	C14H19NO2S
Canonical SMILES:	CC1=CC=C(C=C1)S(=O)(=O)NCCC=C=C(C)C
InChI:	InChI=1S/C14H19NO2S/c1-12(2)6-4-5-11-15-18(16,17)14-9-7-13(3)8-10-14/h4,7-10,15H,5,11H2,1-3H3
InChI Key:	LSSMBRKXEAJPMI-UHFFFAOYSA-N
MDL:	MFCD20527195
LogP:	4.25640

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	402
Compound Is Canonicalized:	No
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	265.11365002
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	265.11365002
Rotatable Bond Count:	5
Topological Polar Surface Area:	54.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8