Basic information
- CAS
5468-67-7- Standard SMILES
Cl.Nc1cc(N)ncn1- InChIKey
MVZWLBUGTZKZMN-UHFFFAOYSA-N- Molecular formula
- C4H7ClN4
- Average molar mass
- 146.58 g/mol
- Monoisotopic mass
- 146.0359239
Names & identifiers
- Preferred name
- 4,6-Pyrimidinediamine, monohydrochloride
- IUPAC
- pyrimidine-4,6-diamine;hydrochloride
- English name
- pyrimidine-4,6-diamine hydrochloride
- Molecular formula
- C4H7ClN4
- Molecular weight
- 146.57818
Names & synonyms
5468-67-7Pyrimidine-4,6-diamine hydrochloride4,6-Pyrimidinediamine, monohydrochloride6PM8PHM86V4,6-Pyrimidinediamine, hydrochloride (1:1)NSC-15007DTXSID2063927RefChem:96690DTXCID004177779364-63-94,6-DIAMINOPYRIMIDINE HYDROCHLORIDEpyrimidine-4,6-diamine;hydrochloride
Show more names
4,6-Pyrimidinediamine,hydrochloride (1:1)
4,6-Diaminopyrimidine, hydrochloridePyrimidine-4,6-diamine hydrochloride(1:x)NSC 150074, hydrochlorideEINECS 226-788-8UNII-6PM8PHM86VSCHEMBL1313405VMJSSOUIWKGKFI-UHFFFAOYSA-N
Database identifiers
- CAS
5468-67-7、79364-63-9- PubChem CID
- 79607
- DTXSID
DTXSID2063927- UNII
- 6PM8PHM86V
- EC Number
- 226-788-8、622-111-9
Properties
Computed structural properties
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 66.4
Physicochemical properties
- FDA UNII
- 6 PM8PHM86V · 6PM8PHM86V
- EPA Substance Registry System
- 4 · 4,6-Pyrimidinediamine, monohydrochloride (5468-67-7)
- TSCA
- TSCA listed
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4,6-Pyrimidinediamine, hydrochloride (1:1): INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers4 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
天津安浩生物科技有限公司[email protected]
天津安浩生物科技有限公司02284840027 18602254930 · [email protected]
Related reactions
6 records
Compound notes
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