[2-Amino-1-(4-fluorophenyl)ethyl]dimethylamine - CAS 842954-71-6

Catalog:	BB074809
Product Name:	[2-Amino-1-(4-fluorophenyl)ethyl]dimethylamine
CAS:	842954-71-6
Synonyms:	[2-amino-1-(4-fluorophenyl)ethyl]dimethylamine; 1-(4-fluorophenyl)-N,N-dimethylethane-1,2-diamine; 1-(4-Fluoro-phenyl)-N1,N1-dimethyl-ethane-1,2-diamine

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	1-(4-fluorophenyl)-N,N-dimethylethane-1,2-diamine
Description:	[2-Amino-1-(4-fluorophenyl)ethyl]dimethylamine
Molecular Weight:	182.24
Molecular Formula:	C10H15FN2
Canonical SMILES:	CN(C)C(CN)C1=CC=C(C=C1)F
InChI:	InChI=1S/C10H15FN2/c1-13(2)10(7-12)8-3-5-9(11)6-4-8/h3-6,10H,7,12H2,1-2H3
InChI Key:	UUQFFOAUNDPGNS-UHFFFAOYSA-N

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.12192665
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	182.12192665
Rotatable Bond Count:	3
Topological Polar Surface Area:	29.3Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1