N-[3-(4-Aminophenyl)propyl]-N,N-dimethylamine - CAS 42817-60-7

Catalog:	BB061409
Product Name:	N-[3-(4-Aminophenyl)propyl]-N,N-dimethylamine
CAS:	42817-60-7
Synonyms:	4-Amino-N,N-dimethylbenzenepropanamine; 4-(3-Dimethylaminopropyl)aniline; 4-(3-Dimethylaminopropyl)phenylamine; p-[3-(Dimethylamino)propyl]aniline

Technical Data

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Computed Properties

IUPAC Name:	4-[3-(dimethylamino)propyl]aniline
Description:	N-[3-(4-Aminophenyl)propyl]-N,N-dimethylamine
Molecular Weight:	178.27
Molecular Formula:	C11H18N2
Canonical SMILES:	CN(C)CCCC1=CC=C(C=C1)N
InChI:	InChI=1S/C11H18N2/c1-13(2)9-3-4-10-5-7-11(12)8-6-10/h5-8H,3-4,9,12H2,1-2H3
InChI Key:	NEGCVQDVCZWFGK-UHFFFAOYSA-N
Solubility:	DMSO (Slightly), Methanol (Slightly)
Appearance:	Brown Thick Oil
Storage:	4°C, Hygroscopic

Publication Number	Title	Priority Date
CN-109863449-A	Aligning agent for liquid crystal, liquid crystal orientation film and the liquid crystal expression element using it	20160830
CN-109891310-A	Aligning agent for liquid crystal, liquid crystal orientation film and liquid crystal indicate element	20160830
CN-109312166-A	Aligning agent for liquid crystal, liquid crystal orientation film and liquid crystal indicate element	20160330
CN-105492535-A	Cured film-forming composition, alignment material, and phase difference material	20130827
CN-105073708-A	Novel diamine, polymer, liquid crystal alignment agent, liquid crystal alignment film, and liquid crystal display element using same	20121225
CN-105073708-B	Novel diamine, polymer, liquid crystal alignment agent, liquid crystal alignment film, and liquid crystal display element using same	20121225
EP-2931713-B1	Chloro-pyrazine carboxamide derivatives useful for the treatment of diseases favoured by insufficient mucosal hydration	20121217
EP-3150585-A1	Chloro-pyrazine carboxamide derivatives with epithelial sodium channel blocking activity	20121217
US-2014171447-A1	Chloro-pyrazine carboxamide derivatives with epithelial sodium channel blocking activity	20121217
US-2017327472-A1	Chloro-pyrazine carboxamide derivatives with epithelial sodium channel blocking activity	20121217

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GHS Hazard Statement:	H302+H312+H332 (33.33%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.146998583
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	178.146998583
Rotatable Bond Count:	4
Topological Polar Surface Area:	29.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2