CAS 53681-47-3 6-Amino-1-propyluracil (HCID 104562)

Substructure search Find similar structures

Basic information

CAS: 53681-47-3
Standard SMILES: CCCn1c(N)cc(=O)[nH]c1=O
InChIKey: KTWOUYVBZDZRNV-UHFFFAOYSA-N
Molecular formula: C7H11N3O2
Average molar mass: 169.18 g/mol
Monoisotopic mass: 169.08512659

Names & identifiers

Preferred name: 6-Amino-1-propyluracil
IUPAC: 6-amino-1-propylpyrimidine-2,4-dione
English name: 6-amino-1-propyluracil
Molecular formula: C7H11N3O2
Molecular weight: 169.18

Names & synonyms

6-Amino-1-propyluracil53681-47-3EINECS 258-697-4DTXSID80201932RefChem:540102DTXCID10124423258-697-46-amino-1-propylpyrimidine-2,4(1H,3H)-dione6-Amino-1-propyl-3H-pyrimidine-2,4-dione6-amino-1-propyl-1,2,3,4-tetrahydropyrimidine-2,4-dione6-amino-1-propylpyrimidine-2,4-dioneMFCD00075365

Show more names

1-Propyl-6-aminouracil6-amino-1-propyl-pyrimidine-2,4-dione6-amino-1-propyl-pyrimidine-2,4-quinone

2,4(1H,3H)-Pyrimidinedione, 6-amino-1-propyl-6-amino-1-propyl-1h-pyrimidine-2,4-dioneGLY2DN9LKF6-Amino-1-propyl-2,4(1H,3H)-pyrimidinedioneSCHEMBL19462406-amino-1-propylpyrimidinedioneHMS1782H08ALBB-021883

Database identifiers

CAS: 53681-47-3
PubChem CID: 104562
DTXSID: DTXSID80201932
UNII: GLY2DN9LKF
EC Number: 258-697-4
Nikkaji: J296.013C

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 75.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 247

Physicochemical properties

Melting point: 279 · 279-281℃
Density: 1.212 · 1.212±0.06 g/cm3 (20 ºC 760 Torr)
pka: 9.26 · 9.26±0.40(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501