AG00J2BQ

955028-06-5 | (3R,​4R)​-​rel-3-​hydroxy-​4-​Piperidinemethanol hydrochloride

AG00J2BQ

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CAS Number	955028-06-5
Catalog Number	AG00J2BQ(AGN-PC-0WRAO9)
Chemical Name	(3R,​4R)​-​rel-3-​hydroxy-​4-​Piperidinemethanol hydrochloride
IUPAC Name	(3S,4S)-4-(hydroxymethyl)piperidin-3-ol;hydrochloride
InChI	InChI=1S/C6H13NO2.ClH/c8-4-5-1-2-7-3-6(5)9;/h5-9H,1-4H2;1H/t5-,6+;/m0./s1
InChI Key	BPOSFSLEEORCKE-RIHPBJNCSA-N
MDL Number	MFCD28024705
Molecular Formula	C6H14ClNO2
Molecular Weight	167.6339
SMILES	OC[C@@H]1[C@@H](O)CNCC1.[H]Cl
Synonyms	trans-4-(Hydroxymethyl)piperidin-3-ol hydrochloride, 955028-06-5, cis-4-(Hydroxymethyl)piperidin-3-ol hydrochloride, SCHEMBL2919353, 955028-05-4, SB21751, trans-4-(Hydroxymethyl)piperidin-3-ol HCl,

Complexity	87.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	167.071306g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	167.63g/mol
Monoisotopic Mass	167.071306g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	52.5Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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