AG00FDUL

747411-47-8 | 5-Isoxazolamine,3-propyl-(9CI)

AG00FDUL

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CAS Number	747411-47-8
Catalog Number	AG00FDUL(AGN-PC-0U5YUG)
Chemical Name	5-Isoxazolamine,3-propyl-(9CI)
IUPAC Name	3-propyl-1,2-oxazol-5-amine
InChI	InChI=1S/C6H10N2O/c1-2-3-5-4-6(7)9-8-5/h4H,2-3,7H2,1H3
InChI Key	NORVABBMTGHGCF-UHFFFAOYSA-N
MDL Number	MFCD05270911
Molecular Formula	C6H10N2O
Molecular Weight	126.1564
SMILES	NC1=CC(CCC)=NO1
Synonyms	3-propylisoxazol-5-amine, 747411-47-8, 3-propyl-1,2-oxazol-5-amine, AC1M1RRG, AC1Q2V49, SCHEMBL9107721, CTK6D4699, 5-Isoxazolamine,3-propyl-(9CI), HMS1755J05, ZINC2641164, MFCD05270911, 3-propylisoxazol-5-amine, AldrichCPR, AKOS005198886, DS-8470, MCULE-4238226126, NE24028, KS-00000S45, AJ-44083, AK146146, AM806491, DB-074875, CS-0037799, FT-0761901, ST24042428, Z2752, EN300-09525, Z56979375, C6H10N2O, 5-Isoxazolamine, 3-propyl- (9CI), ZINC02641164, CID2104061, 3-Propylisoxazol-5-amine, 97% - 1G 1g,

Complexity	87.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	126.079g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	126.159g/mol
Monoisotopic Mass	126.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number