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trans-4-Amino-1-benzyl-3-(hydroxymethyl)piperidine

trans-4-Amino-1-benzyl-3-(hydroxymethyl)piperidine - CAS 1260670-31-2

Catalog:	BB006334
Product Name:	trans-4-Amino-1-benzyl-3-(hydroxymethyl)piperidine
CAS:	1260670-31-2
Synonyms:	[(3S,4S)-4-amino-1-(phenylmethyl)-3-piperidinyl]methanol; [(3S,4S)-4-amino-1-benzylpiperidin-3-yl]methanol

Technical Data

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Computed Properties

IUPAC Name:	[(3S,4S)-4-amino-1-benzylpiperidin-3-yl]methanol
Description:	trans-4-Amino-1-benzyl-3-(hydroxymethyl)piperidine (CAS# 1260670-31-2) is a useful research chemical.
Molecular Weight:	220.31
Molecular Formula:	C13H2 N2O
Canonical SMILES:	C1CN(CC(C1N)CO)CC2=CC=CC=C2
InChI:	InChI=1S/C13H20N2O/c14-13-6-7-15(9-12(13)10-16)8-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10,14H2/t12-,13+/m1/s1
InChI Key:	CZCYWYTZXZUBOO-OLZOCXBDSA-N

Publication Number	Title	Priority Date
US-2021115065-A1	Compounds and compositions for the treatment of parasitic diseases	20191021
WO-2021078120-A1	Compounds and compositions for the treatment of parasitic diseases	20191021
JP-2014076948-A	Isoquinolinamide derivatives	20110209
WO-2012108490-A1	Isoquinoline amide derivative	20110209

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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, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	204
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	220.157563266
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	220.157563266
Rotatable Bond Count:	3
Topological Polar Surface Area:	49.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1