α-N,N-Dimethylaminophenylacetonitrile - CAS 827-36-1

Catalog:	BB036894
Product Name:	α-N,N-Dimethylaminophenylacetonitrile
CAS:	827-36-1
Synonyms:	2-(dimethylamino)-2-phenylacetonitrile

Technical Data

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Computed Properties

IUPAC Name:	2-(dimethylamino)-2-phenylacetonitrile
Description:	α-N,N-Dimethylaminophenylacetonitrile (CAS# 827-36-1) is useful in the identification of 1,3-thiazole-5-carboxylic acid derivatives as inhibitors of protein kinase CK2 and its SAR.
Molecular Weight:	160.22
Molecular Formula:	C10H12N2
Canonical SMILES:	CN(C)C(C#N)C1=CC=CC=C1
InChI:	InChI=1S/C10H12N2/c1-12(2)10(8-11)9-6-4-3-5-7-9/h3-7,10H,1-2H3
InChI Key:	PAGHXXKYFBGJEH-UHFFFAOYSA-N
Boiling Point:	88-90 °C (lit.)
Density:	0.997 g/mL at 25°C(lit.)
MDL:	MFCD00013810
LogP:	1.81288

Publication Number	Title	Priority Date
EP-2279450-A1	Electrolytes for electrochromic devices	20080424
JP-2011521279-A	Electrolyte, electrochromic device, and method for producing electrolyte suitable for electrochromic device	20080424
JP-5745395-B2	Electrolytes, electrochromic devices	20080424
KR-20110003505-A	Electrolyte for Electrochromic Device	20080424
US-2011051218-A1	Electrolytes for electrochromic devices	20080424

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
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[32894-07-8]
Benzyl thioacetimidate hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

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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

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.100048391
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	160.100048391
Rotatable Bond Count:	2
Topological Polar Surface Area:	27 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7