n4-Butyl-6-chloropyrimidine-2,4-diamine
Basic information
- CAS
5457-91-0- Standard SMILES
CCCCNc1cc(Cl)nc(N)n1- InChIKey
USOQULOSUZEEKY-UHFFFAOYSA-N- Molecular formula
- C8H13ClN4
- Average molar mass
- 200.67 g/mol
- Monoisotopic mass
- 200.0828741
Names & identifiers
- Preferred name
- n4-Butyl-6-chloropyrimidine-2,4-diamine
- IUPAC
- 4-N-butyl-6-chloropyrimidine-2,4-diamine
Names & synonyms
n4-butyl-6-chloropyrimidine-2,4-diamine5457-91-0MLS0007380214-N-butyl-6-chloropyrimidine-2,4-diamineN~4~,N~6~-dibutyl-2,4,6-pyrimidinetriamineNSC23906SCHEMBL8600881CHEMBL1884808DTXSID80282029USOQULOSUZEEKY-UHFFFAOYSA-NHMS2760N10FAA45791
Show more names
MFCD00665936MFCD15201686NSC-23906AKOS0050996472-amino-4-butylamino-6-chloropyrimidineSMR000393697N4-butyl-6-chloro-pyrimidine-2,4-diamineN~4~-Butyl-6-chloropyrimidine-2,4-diamine
Database identifiers
- CAS
5457-91-0- PubChem CID
- 229862
- DTXSID
DTXSID80282029- ChEMBL
CHEMBL1884808- EC Number
- 186-231-9
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 144
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%)
Related reactions
4 records
Compound notes
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