AG00EJRN

63936-02-7 | 1-Isopropyl-1H-1,2,4-triazole

AG00EJRN

SDS

COA

Price

$0.00

WARNING This product is not for human or veterinary use.

CAS Number	63936-02-7
Catalog Number	AG00EJRN(AGN-PC-0NK6A4)
Chemical Name	1-Isopropyl-1H-1,2,4-triazole
IUPAC Name	1-propan-2-yl-1,2,4-triazole
InChI	InChI=1S/C5H9N3/c1-5(2)8-4-6-3-7-8/h3-5H,1-2H3
InChI Key	RDTUDLGSHURRHY-UHFFFAOYSA-N
MDL Number	MFCD18889704
Molecular Formula	C5H9N3
Molecular Weight	111.1451
SMILES	CC(N1N=CN=C1)C
Synonyms	1-Isopropyl-1H-1,2,4-triazole, 63936-02-7, 1-(1-methylethyl)-1H-1,2,4-Triazole, 1H-1,2,4-Triazole, 1-(1-methylethyl)-, 1-(propan-2-yl)-1H-1,2,4-triazole, 1-isopropyl-1,2,4-triazole, 1-i-propyl-1,2,4-triazole, SCHEMBL1371558, CTK2A7826, DTXSID70509257, RDTUDLGSHURRHY-UHFFFAOYSA-N, 1-propan-2-yl-1,2,4-triazole, 1-isopropyl-1H-[1,2,4]triazole, 9796AB, MFCD18889704, QC-772, ZINC39281346, AKOS013122517, AJ-99616, AM807023, DA-17996, AB0080682, ST2403445, 4CH-019246, FT-0686198, C5H9N3, ACN-052350,

Complexity	72.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	111.08g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	111.148g/mol
Monoisotopic Mass	111.08g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	30.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number