AG00G3QR

83797-69-7 | 2,4(1H,3H)-Pyrimidinedione, 6-(octylamino)-

AG00G3QR

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CAS Number	83797-69-7
Catalog Number	AG00G3QR(AGN-PC-0N32DN)
Chemical Name	2,4(1H,3H)-Pyrimidinedione, 6-(octylamino)-
IUPAC Name	6-(octylamino)-1H-pyrimidine-2,4-dione
InChI	InChI=1S/C12H21N3O2/c1-2-3-4-5-6-7-8-13-10-9-11(16)15-12(17)14-10/h9H,2-8H2,1H3,(H3,13,14,15,16,17)
InChI Key	PFSWASUQURIOOR-UHFFFAOYSA-N
MDL Number	MFCD28900678
Molecular Formula	C12H21N3O2
Molecular Weight	239.3140
SMILES	O=C1NC(C=C(NCCCCCCCC)N1)=O
Synonyms	6-OAU, 83797-69-7, 6-n-octylaminouracil, GTPL5846, 2,4(1H,3H)-Pyrimidinedione, 6-(octylamino)-, CHEMBL3827832, 6-n-octyl aminouracil, 6-(octylamino)-1H-pyrimidine-2,4-dione, SCHEMBL17375502, GTPL-5846, AOB5243, BCP14892, EX-A1831, GTPL-5846 (6-OAU), BDBM50189502, MFCD28900678, AKOS026750321, ZINC138309371, CS-3962, AK206117, AS-47018, HY-12764, 6-(Octylamino)-2,4(1H,3H)-pyrimidinedione, 6-(octylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione, D0R1MM, CID10354234, 6-(Octylamino)pyrimidine-2,4(1H,3H)-dione, A15507,

Complexity	300
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.163g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	239.319g/mol
Monoisotopic Mass	239.163g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	70.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

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

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