AG00C17O

21168-72-9 | 2-[4-(Aminomethyl)piperidin-1-yl]ethan-1-ol

AG00C17O

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CAS Number	21168-72-9
Catalog Number	AG00C17O(AGN-PC-0WA52S)
Chemical Name	2-[4-(Aminomethyl)piperidin-1-yl]ethan-1-ol
IUPAC Name	2-[4-(aminomethyl)piperidin-1-yl]ethanol
InChI	InChI=1S/C8H18N2O/c9-7-8-1-3-10(4-2-8)5-6-11/h8,11H,1-7,9H2
InChI Key	VKMYXOQRUXXUHE-UHFFFAOYSA-N
MDL Number	MFCD06637707
Molecular Formula	C8H18N2O
Molecular Weight	158.2413
SMILES	NCC1CCN(CCO)CC1
Synonyms	21168-72-9, 2-(4-(Aminomethyl)piperidin-1-yl)ethanol, 2-(4-aminomethyl-piperidin-1-yl)-ethanol, 2-[4-(aminomethyl)piperidin-1-yl]ethanol, 2-[4-(aminomethyl)piperidin-1-yl]ethan-1-ol, 2-[4-(Aminomethyl)-1-piperidinyl]ethanol, AC1OK4X2, SCHEMBL103579, CTK4E6002, KS-00000IEW, DTXSID90428537, VKMYXOQRUXXUHE-UHFFFAOYSA-N, ZINC4716450, MFCD06637707, AKOS011060322, DS-3363, MCULE-1597957180, 2-(4-Aminomethylpiperidin-1-yl)ethanol, AJ-52060, AK105511, ST2409312, 4CH-016017, EN300-71012, Y-2322, 2-[4-(Aminomethyl)piperidin-1-yl]ethanol, AldrichCPR, 2- -ETHANOL, CID7330476, (2-ETHOXY-3-METHOXYBENZYL)AMINE, 2-[4-(aminomethyl)-1-piperidyl]ethanol,

Complexity	100
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.142g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	158.245g/mol
Monoisotopic Mass	158.142g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	49.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2735

Certificate of Analysis

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