3-[(1-Pyrrolidinyl)methyl]benzylamine - CAS 91271-78-2

Catalog:	BB040099
Product Name:	3-[(1-Pyrrolidinyl)methyl]benzylamine
CAS:	91271-78-2
Synonyms:	[3-(1-pyrrolidinylmethyl)phenyl]methanamine; [3-(pyrrolidin-1-ylmethyl)phenyl]methanamine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	[3-(pyrrolidin-1-ylmethyl)phenyl]methanamine
Description:	3-[(1-Pyrrolidinyl)methyl]benzylamine (CAS# 91271-78-2) is a useful research chemical.
Molecular Weight:	190.28
Molecular Formula:	C12H18N2
Canonical SMILES:	C1CCN(C1)CC2=CC(=CC=C2)CN
InChI:	InChI=1S/C12H18N2/c13-9-11-4-3-5-12(8-11)10-14-6-1-2-7-14/h3-5,8H,1-2,6-7,9-10,13H2
InChI Key:	RTUWXPVILJUANC-UHFFFAOYSA-N
Boiling Point:	295 °C at 760 mmHg
Density:	1.068 g/cm³
MDL:	MFCD06408780
LogP:	2.37930

Publication Number	Title	Priority Date
WO-2020168017-A1	Compositions containing, methods and uses of antibody-tlr agonist conjugates	20190212
WO-2020083089-A1	Compound of 5- or 6-membered heterocyclic pyrimidines and use thereof	20181022
AU-2015318062-A1	Methods of preparing toll-like receptor modulators	20140916
AU-2015318062-B2	Methods of preparing toll-like receptor modulators	20140916
AU-2018236824-A1	Methods of preparing toll-like receptor modulators	20140916

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	164
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.146998583
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	190.146998583
Rotatable Bond Count:	3
Topological Polar Surface Area:	29.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1