2(1H)-Pyrimidinone, tetrahydro-

HCID 74615CAS 1852-17-1
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1NCCCN1
InChIKey
NQPJDJVGBDHCAD-UHFFFAOYSA-N
Molecular formula
C4H8N2O
Average molar mass
100.12 g/mol
Monoisotopic mass
100.06366288

Names & identifiers

Preferred name
2(1H)-Pyrimidinone, tetrahydro-
IUPAC
1,3-diazinan-2-one
English name
Propyleneurea
Molecular formula
C4H8N2O
Molecular weight
100.12

Names & synonyms

1852-17-1TETRAHYDRO-2(1H)-PYRIMIDINONEHexahydropyrimidin-2-onePerhydropyrimidin-2-one2(1H)-Pyrimidinone, tetrahydro-2-Ketohexahydropyrimidinetetrahydropyrimidin-2(1H)-oneHexahydro-2(1H)-pyrimidinonePyrimidine, hexahydro-2-oxo-Urea, 1,3-trimethylene-Urea, N,N'-(1,3-propanediyl)-2-Pyrimidinol, 3,4,5,6-tetrahydro-
Show more names
1,3-diazinan-2-onePROPYLENEUREA-pyrimidinoneTetrahydro-2(1H)N,N'-PROPYLENEUREAN,N-TrimethyeneureaN,N'-TRIMETHYLENEUREATetrahydro pyrimidone1,3-(Trimethylene)urea
NSC 21315AI3-50508EINECS 217-443-2EC 217-443-2RefChem:439799217-443-2InChI=1/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7Tetrahydro-2-pyrimidinone

Database identifiers

CAS
1852-17-1
PubChem CID
74615
DTXSID
DTXSID9051820
ChEMBL
CHEMBL12593
UNII
V5992LV6AG
EC Number
217-443-2
Nikkaji
J199.666E

Properties

Computed structural properties

XLogP
-1.3
Topological polar surface area
41.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
7

Experimental & physicochemical properties

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

Physicochemical properties

Melting point
263 · 263-267 °C (lit.) 264-267 °C
Boiling point
339 · 339.0±11.0 °C(Predicted)
Density
1.053 · 1.053±0.06 g/cm3(Predicted)
Flash point
158 °C · 158 °C
storage temp.
Sealed in dry,Room Temperature
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 99.1% (105 of 106) of all reports.

Not Classified

Aggregated GHS information provided per 106 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

Chemical: 2(1H)-Pyrimidinone, tetrahydro-

Status: Active Update: 08-03-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/6002

Hazard Classes and CategoriesNot Classified

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
rtecs
UW7539800
hs_code
29335990
Signal word
Warning

Chemistry & industry

Uses & manufacturing

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing Information2(1H)-Pyrimidinone, tetrahydro-: ACTIVE

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Related reactions

48 records
New reaction record

Linked notes

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