2-Chloro-N-ethylpyrimidin-4-amine
Basic information
- CAS
86443-51-8- Standard SMILES
CCNc1ccnc(Cl)n1- InChIKey
CQIZRQZZERNHGF-UHFFFAOYSA-N- Molecular formula
- C6H8ClN3
- Average molar mass
- 157.6 g/mol
- Monoisotopic mass
- 157.040675
Names & identifiers
- Preferred name
- 2-Chloro-N-ethylpyrimidin-4-amine
- IUPAC
- 2-chloro-N-ethylpyrimidin-4-amine
- English name
- 2-chloro-N-ethylpyrimidin-4-amine
- Molecular formula
- C6H8ClN3
- Molecular weight
- 157.6
Names & synonyms
2-Chloro-N-ethylpyrimidin-4-amine86443-51-8DTXSID50629886RefChem:259422DTXCID40580639(2-Chloro-pyrimidin-4-yl)-ethyl-amine2-chloro-N-ethyl-4-PyrimidinamineMFCD090553692-chloro-4-ethylaminopyrimidine4-Pyrimidinamine, 2-chloro-N-ethyl-4-Pyrimidinamine,2-chloro-N-ethylSCHEMBL1519145
Show more names
2-Chloro-4-(ethylamino)pyrimidineN-(2-Chloropyrimidin-4-yl)ethylamine2-(2-ChloropyriMidin-4-yl)ethanaMineN-(2-Chloropyrimidin-4-yl)-N-ethylamine2-chloro-N-ethylpyrimidin-4-amine(SALTDATA: FREE)2-chloro-N-ethylpyrimidin-4-amine ISO 9001：2015 REACH
CQIZRQCQIZRQZZERNHGF-UHFFFAOYSA-NLDA443512-chloro-N-ethyl-pyrimidin-4-amineZB1193AKOS011629009DS-14141SY101578
Database identifiers
- CAS
86443-51-8- PubChem CID
- 23027192
- DTXSID
DTXSID50629886- EC Number
- 107-018-9
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 99
Physicochemical properties
- Melting point
- 63 · 63-66 °C
- Boiling point
- 322.6 · 322.6±15.0 °C(Predicted)
- Density
- 1.273 · 1.273
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 2.87 · 2.87±0.10(Predicted)
- form
- solid
- Appearance
- White to off-white Solid
- InChI
- 1S/C6H8ClN3/c1-2-8-5-3-4-9-6(7)10-5/h3-4H,2H2,1H3,(H,8,9,10)
- InChIKey
- CQIZRQZZERNHGF-UHFFFAOYSA-N
- SMILES
- ClC1=NC=CC(NCC)=N1
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
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]
P264, P270, P301+P317, P330, 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
- wgk
- 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
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Compound notes
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