2-Aminopyrimidine-5-carbaldehyde
Basic information
- CAS
120747-84-4- Standard SMILES
Nc1ncc(C=O)cn1- InChIKey
DPOYRRAYGKTRAU-UHFFFAOYSA-N- Molecular formula
- C5H5N3O
- Average molar mass
- 123.11 g/mol
- Monoisotopic mass
- 123.04326179
Names & identifiers
- Preferred name
- 2-Aminopyrimidine-5-carbaldehyde
- IUPAC
- 2-aminopyrimidine-5-carbaldehyde
- English name
- 2-Amino-5-pyrimidinecarboxyaldehyde
- Molecular formula
- C5H5N3O
- Molecular weight
- 123.11
Names & synonyms
2-Aminopyrimidine-5-carbaldehyde120747-84-4DTXSID40354332RefChem:256054DTXCID70305392682-941-22-Amino-5-pyrimidinecarboxyaldehyde2-Amino-pyrimidine-5-carbaldehydeMFCD037017142-AMINO-5-PYRIMIDINECARBOXALDEHYDE2-AMINOPYRIMIDINE-5-CARBOXALDEHYDE5-PYRIMIDINECARBOXALDEHYDE, 2-AMINO-
Show more names
ASISCHEM C635472-aminopyrimidine-5-carboxyaldehyde5-Pyrimidinecarboxaldehyde,2-amino-2-Aminopyrimidine-5-carbaldehyde?New2-Amino-pyrimidine-5-carbaldehyde ,97%
SCHEMBL528074CS-W008999PB12291DS-11057VU0549469-1EN300-1305652-amino-5-pyrimidinecarbaldehydeBCP27591
Database identifiers
- CAS
120747-84-4- PubChem CID
- 769097
- DTXSID
DTXSID40354332- EC Number
- 682-941-2
- Nikkaji
- J433.192C
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 98.4
Physicochemical properties
- Melting point
- 209 · 209-214°C
- Boiling point
- 372.7 · 372.7±34.0 °C(Predicted)
- Density
- 1.37 · 1.370±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- solid
- pka
- 1.99 · 1.99±0.10(Predicted)
- Appearance
- Off-white to yellow Solid
- InChI
- InChI=1S/C5H5N3O/c6-5-7-1-4(3-9)2-8-5/h1-3H,(H2,6,7,8)
- InChIKey
- DPOYRRAYGKTRAU-UHFFFAOYSA-N
- SMILES
- C1(N)=NC=C(C=O)C=N1
- CAS DataBase Reference
- 120747 · 120747-84-4(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
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 (98%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 51 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (98%)
Safety data
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 22-43-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 36/37-37/39-26
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H317
- Hazard Classifications
- Acute Tox. 4 OralSkin Sens. 1
- Precautionary statements
- P280-P301+P312+P330-P302+P352
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
10 records
Compound notes
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