Pyrimidine, 1,4,5,6-tetrahydro-1,2-dimethyl-

HCID 77953
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Basic information

CAS
4271-96-9
Standard SMILES
CC1=NCCCN1C
InChIKey
ZFDWWDZLRKHULH-UHFFFAOYSA-N
Molecular formula
C6H12N2
Average molar mass
112.17 g/mol
Monoisotopic mass
112.10004838

Names & identifiers

Preferred name
Pyrimidine, 1,4,5,6-tetrahydro-1,2-dimethyl-
IUPAC
1,2-dimethyl-5,6-dihydro-4H-pyrimidine
English name
1,2-Dimethyl-1,4,5,6-tetrahydropyrimidine
Molecular formula
C6H12N2
Molecular weight
112.17

Names & synonyms

1,2-Dimethyl-1,4,5,6-tetrahydropyrimidine1,4,5,6-Tetrahydro-1,2-dimethylpyrimidinePyrimidine, 1,4,5,6-tetrahydro-1,2-dimethyl-2,3-DimethyltetrahydropyrimidineF4M3LG4PSUEINECS 224-262-22,3-dimethyl-3,4,5,6-tetrahydropyrimidineDTXSID3063382EC 224-262-2Pyrimidine, 3,4,5,6-tetrahydro-2,3-dimethyl-PYRANTEL EMBONATE IMPURITY D [EP IMPURITY]MORANTEL HYDROGEN TARTRATE IMPURITY C [EP IMPURITY]
Show more names
DMTHPMPyrantel Impurity D1,2-Dimethyl-1,4,5,6Phenytoin Impurity 12-1,4,5,6-tetrahydropyrimidinePyrantel impurity D (Y0001817)Pyrantel embonate EP Impurity DDi Methyl Tetra Hydro Pyrimidine
PYRANTEL EMBONATE IMPURITY D (EP IMPURITY)MORANTEL HYDROGEN TARTRATE IMPURITY C (EP IMPURITY)RefChem:177756DTXCID3040140ZFDWWDZLRKHULH-UHFFFAOYSA-N4271-96-91,2-dimethyl-5,6-dihydro-4H-pyrimidineMFCD00036056

Database identifiers

CAS
4271-96-9
PubChem CID
77953
DTXSID
DTXSID3063382
UNII
F4M3LG4PSU
EC Number
224-262-2
Nikkaji
J39.645A

Properties

Computed structural properties

XLogP
-0.2
Topological polar surface area
15.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
8

Physicochemical properties

Boiling point
125 °C · 125°C (115 mmHg)
Density
0 · 0,98 g/cm3
Flash point
73 °C · 73°C
storage temp.
2 · 2-8°C
solubility
Acetone (Sparingly), Chloroform (Sparingly), DMSO (Sparingly), Methanol(Sparingly)
pka
13.42 · 13.42±0.20(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P262, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 111 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Pyrimidine, 1,4,5,6-tetrahydro-1,2-dimethyl-

Status: Active Update: 09-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17760

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk
WGK 3
tsca
TSCA listed
ridadr
3267
hs_code
2933599590
risk_code
22-34
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPyrimidine, 1,4,5,6-tetrahydro-1,2-dimethyl-: ACTIVE

Applications

Uses1,2-Dimethyl-1,4,5,6-tetrahydropyrimidine is a reagent used in the synthesis of pyrantel derivatives with nematocidal activity. Also used as a reactant in the preparation of hapten antibodies that evoke terpenoid cyclization.

Upstream & downstream products

Suppliers100 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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CAS 4271-96-9 Pyrimidine, 1,4,5,6-tetrahydro-1,2-dimethyl- (HCID 77953)｜Huagongshe