N,N-Dimethylphenethylamine - CAS 1126-71-2

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

Catalog:	BB003017
Product Name:	N,N-Dimethylphenethylamine
CAS:	1126-71-2
Synonyms:	N,N-dimethyl-2-phenylethanamine

Technical Data

IUPAC Name:	N,N-dimethyl-2-phenylethanamine
Description:	N,N-Dimethylphenethylamine (CAS# 1126-71-2) is used in the study of photolytic decomposition products of UV-photoinitiators in food packaging. N,N-Dimethyl-2-phenylethanamine is also a useful reagent in organic synthesis.
Molecular Weight:	149.23
Molecular Formula:	C10H15N
Canonical SMILES:	CN(C)CCC1=CC=CC=C1
InChI:	InChI=1S/C10H15N/c1-11(2)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChI Key:	TXOFSCODFRHERQ-UHFFFAOYSA-N
Boiling Point:	207-212 °C (lit.)
Purity:	95 %
Density:	0.89 g/mLat25°C(lit.)
Solubility:	Soluble in water
Appearance:	Colourless to yellow liquid
MDL:	MFCD00177940
LogP:	1.79070

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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PMID	Publication Date	Title	Journal
22992791	20121107	Direct benzylic metalation of a phenethylamine derivative: potassium as the key to both generation and stabilization of a labile anion	Chemical communications (Cambridge, England)
22616018	20120101	In vitro and in vivo activity of a palladacycle complex on Leishmania (Leishmania) amazonensis	PLoS neglected tropical diseases
22185278	20111201	Measurement of methotrexate polyglutamates in human erythrocytes by ion-pair UPLC-MS/MS	Bioanalysis
20593860	20101028	Dissociative energy flow, vibrational energy redistribution, and conformeric structural dynamics in bifunctional amine model systems	The journal of physical chemistry. A
18752468	20090101	Palladacycles catalyse the oxidation of critical thiols of the mitochondrial membrane proteins and lead to mitochondrial permeabilization and cytochrome c release associated with apoptosis	The Biochemical journal

Complexity:	93
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	149.120449483
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	149.120449483
Rotatable Bond Count:	3
Topological Polar Surface Area:	3.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4