(3R,4R)-1-benzyl-4-methoxy-pyrrolidin-3-amine - CAS 174847-56-4

Catalog:	BB013048
Product Name:	(3R,4R)-1-benzyl-4-methoxy-pyrrolidin-3-amine
CAS:	174847-56-4
Synonyms:	4-methoxy-1-(phenylmethyl)-3-pyrrolidinamine; 1-benzyl-4-methoxypyrrolidin-3-amine

Technical Data

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Computed Properties

IUPAC Name:	(3R,4R)-1-benzyl-4-methoxypyrrolidin-3-amine
Description:	(3R,4R)-1-benzyl-4-methoxy-pyrrolidin-3-amine (CAS# 174847-56-4 ) is a useful research chemical.
Molecular Weight:	206.289
Molecular Formula:	C12H18N2O
Canonical SMILES:	COC1CN(CC1N)CC2=CC=CC=C2
InChI:	InChI=1S/C12H18N2O/c1-15-12-9-14(8-11(12)13)7-10-5-3-2-4-6-10/h2-6,11-12H,7-9,13H2,1H3
InChI Key:	XATWULWMGNIFCJ-UHFFFAOYSA-N
LogP:	1.48270

Publication Number	Title	Priority Date
JP-2009013176-A	Antitumor agent	19951213
JP-4323574-B2	Antitumor agent	19951213
JP-5079612-B2	Antitumor agent	19951213
JP-H09221424-A	Antitumor agent	19951213
CZ-292631-B6	Pyridone carboxylic acid derivatives, antineoplastic and pharmacological formulations containing thereof	19940614

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Complexity:	192
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	206.141913202
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	206.141913202
Rotatable Bond Count:	3
Topological Polar Surface Area:	38.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6