AG00HT2Q

1338719-26-8 | 1-(3-Oxetanyl)-1H-pyrazol-4-aMine

AG00HT2Q

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CAS Number	1338719-26-8
Catalog Number	AG00HT2Q(AGN-PC-0WA3OP)
Chemical Name	1-(3-Oxetanyl)-1H-pyrazol-4-aMine
IUPAC Name	1-(oxetan-3-yl)pyrazol-4-amine
InChI	InChI=1S/C6H9N3O/c7-5-1-8-9(2-5)6-3-10-4-6/h1-2,6H,3-4,7H2
InChI Key	RKORKXLEGJOTTK-UHFFFAOYSA-N
MDL Number	MFCD21848218
Molecular Formula	C6H9N3O
Molecular Weight	139.1552
SMILES	NC1=CN(C2COC2)N=C1
Synonyms	1-(oxetan-3-yl)-1H-pyrazol-4-amine, 1338719-26-8, 1-(3-OXETANYL)-1H-PYRAZOL-4-AMINE, 1H-Pyrazol-4-amine,1-(3-oxetanyl)-, SCHEMBL2574462, RKORKXLEGJOTTK-UHFFFAOYSA-N, KS-000007TT, MFCD21848218, ZINC95919539, AKOS024160785, AK171686, AS-34827, CS-0052818, F2147-5154,

Complexity	126
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	139.075g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	139.158g/mol
Monoisotopic Mass	139.075g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	53.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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