5-(Aminomethyl)pyrimidine-2,4-diol hydrochloride
Basic information
- CAS
90585-93-6- Standard SMILES
Cl.NCc1c[nH]c(=O)[nH]c1=O- InChIKey
AXUBMXRUYDFZGQ-UHFFFAOYSA-N- Molecular formula
- C5H8ClN3O2
- Average molar mass
- 177.59 g/mol
- Monoisotopic mass
- 177.0305042
Names & identifiers
- Preferred name
- 5-(Aminomethyl)pyrimidine-2,4-diol hydrochloride
- IUPAC
- 5-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride
- English name
- 5-(aminomethyl)pyrimidine-2,4(1H,3H)-dione hydrochloride
- Molecular formula
- C5H8ClN3O2
- Molecular weight
- 177.58892
Names & synonyms
90585-93-65-(aminomethyl)pyrimidine-2,4-diol hydrochlorideRefChem:530710875-380-15-(Aminomethyl)-2,4(1H,3H)-pyrimidinedione hydrochloride5-(Aminomethyl)pyrimidine-2,4(1H,3H)-dione hydrochlorideMFCD280246435-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride5-aminomethyluracil hydrochlorideSCHEMBL22659843QDA58593AKOS026744111
Show more names
AKOS027426957SB56819BS-38995SY196411DB-413161CS-0263859EN300-90372H45927
Database identifiers
- CAS
90585-93-6- PubChem CID
- 54595486
- EC Number
- 875-380-1
Properties
Computed structural properties
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Melting point
- 250 · 250-254 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Suppliers
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Related reactions
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Compound notes
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