AG0098BS

1208989-40-5 | [3-amino-1-(hydroxymethyl)cyclobutyl]methanol

AG0098BS

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CAS Number	1208989-40-5
Catalog Number	AG0098BS(AGN-PC-0WA7Z6)
Chemical Name	[3-amino-1-(hydroxymethyl)cyclobutyl]methanol
IUPAC Name	[3-amino-1-(hydroxymethyl)cyclobutyl]methanol
InChI	InChI=1S/C6H13NO2/c7-5-1-6(2-5,3-8)4-9/h5,8-9H,1-4,7H2
InChI Key	ZGAVNCNNYZDUIW-UHFFFAOYSA-N
MDL Number	MFCD19215730
Molecular Formula	C6H13NO2
Molecular Weight	131.1729
SMILES	NC1CC(CO)(CO)C1
Synonyms	1208989-40-5, (3-Aminocyclobutane-1,1-diyl)dimethanol, 3-AMINO-1,1-CYCLOBUTANEDIMETHANOL, [3-AMINO-1-(HYDROXYMETHYL)CYCLOBUTYL]METHANOL, SCHEMBL12037344, 3-AMino-1,1-cyclobutanedi..., DTXSID10717455, MFCD19215730, ZINC72267041, AKOS006352796, PB33455, KS-000008G0, AS-34948, CS-0052990, C-8492, F2147-4115,

Complexity	93.2
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	131.095g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	131.175g/mol
Monoisotopic Mass	131.095g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 2735

Certificate of Analysis

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