AG002QB1

25055-82-7 | 3H-Diazirine-3-ethanol, 3-methyl-

AG002QB1

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CAS Number	25055-82-7
Catalog Number	AG002QB1(AGN-PC-0O88YE)
Chemical Name	3H-Diazirine-3-ethanol, 3-methyl-
IUPAC Name	2-(3-methyldiazirin-3-yl)ethanol
InChI	InChI=1S/C4H8N2O/c1-4(2-3-7)5-6-4/h7H,2-3H2,1H3
InChI Key	YXAYZDNOWMFZLL-UHFFFAOYSA-N
MDL Number	MFCD22683730
Molecular Formula	C4H8N2O
Molecular Weight	100.1191
SMILES	CC1(CCO)N=N1
Synonyms	3-azibutanol, 2-(3-Methyl-3H-diazirin-3-yl)ethanol, 25055-82-7, 2-(3-methyl-3H-diazirin-3-yl)ethan-1-ol, 3-azibutanol, 3H-Diazirine-3-ethanol, 3-methyl-, 3,3-azibutan-1-ol, SCHEMBL14773014, 2-(3-methyldiazirin-3-yl)ethanol, ZINC97454991, AKOS025396057, DS-8514, AK173553, 3-(2-hydroxyethyl)-3-methyl-3H-diazirine, DB-105668, C526209,

Complexity	93.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	100.063663g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	100.12g/mol
Monoisotopic Mass	100.063663g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	45Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H312-H315-H318-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
UN Code	UN 1760

Certificate of Analysis

Lot Number