2-(Pyrrolidin-1-ylmethyl)aniline - CAS 55727-59-8

Catalog:	BB029152
Product Name:	2-(Pyrrolidin-1-ylmethyl)aniline
CAS:	55727-59-8
Synonyms:	2-(pyrrolidin-1-ylmethyl)aniline

Technical Data

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Computed Properties

IUPAC Name:	2-(pyrrolidin-1-ylmethyl)aniline
Description:	2-(Pyrrolidin-1-ylmethyl)aniline (CAS# 55727-59-8) is a useful research chemical.
Molecular Weight:	176.26
Molecular Formula:	C11H16N2
Canonical SMILES:	C1CCN(C1)CC2=CC=CC=C2N
InChI:	InChI=1S/C11H16N2/c12-11-6-2-1-5-10(11)9-13-7-3-4-8-13/h1-2,5-6H,3-4,7-9,12H2
InChI Key:	GWPIHNDIYNLVOT-UHFFFAOYSA-N
Boiling Point:	290.9 °C at 760 mmHg
Density:	1.099 g/cm³
Appearance:	Solid
MDL:	MFCD01546257
LogP:	2.38370

Publication Number	Title	Priority Date
EP-3056202-A1	Benzopyrrolidone derivatives possessing antiviral and anticancer properties	20150216
WO-2016131789-A1	Benzopyrrolidone derivatives possessing antiviral and anticancer properties	20150216
CN-106414431-A	Dihydrothiazine and dihydrooxazine derivatives having BACE1 inhibitory activity	20140411
CN-103415516-A	Bicyclic inhibitors of ALK	20110121
CN-103025731-B	As the imidazoles that the 2-pyridyl of ALK5 and/or ALK4 inhibitor replaces	20100629

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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+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	152
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.131348519
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	176.131348519
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6