N-Methyl-4-nitrobenzylamine - CAS 19499-60-6

Catalog:	BB015095
Product Name:	N-Methyl-4-nitrobenzylamine
CAS:	19499-60-6
Synonyms:	N-methyl-1-(4-nitrophenyl)methanamine;hydrochloride; N-methyl-1-(4-nitrophenyl)methanamine;hydrochloride

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Computed Properties

IUPAC Name:	N-methyl-1-(4-nitrophenyl)methanamine;hydrochloride
Description:	N-Methyl-4-nitrobenzylamine (CAS# 19499-60-6) is a useful research chemical.
Molecular Weight:	166.18
Molecular Formula:	C8H10N2O2
Canonical SMILES:	CNCC1=CC=C(C=C1)[N+](=O)[O-].Cl
InChI:	InChI=1S/C8H10N2O2.ClH/c1-9-6-7-2-4-8(5-3-7)10(11)12;/h2-5,9H,6H2,1H3;1H
InChI Key:	LADGAFKIYVCZGN-UHFFFAOYSA-N
Boiling Point:	277.2 °C at 760 mmHg
LogP:	3.03030

Publication Number	Title	Priority Date
WO-2009012375-A2	Squarate kinase inhibitors	20070719
US-2009004185-A1	Amino-substituted quinazoline derivatives as inhibitors of beta-catenin/tcf-4 pathway and cancer treatment agents	20070111
WO-2008086462-A2	AMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF Î²-CANTENIN/TCF-4 PATHWAY AND CANCER TREATMENT AGENTS	20070111
EP-1861357-B1	Novel compounds or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same	20050319
US-2009105258-A1	Novel compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same	20050319

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.0509053
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	202.0509053
Rotatable Bond Count:	2
Topological Polar Surface Area:	57.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0