Basic information
- CAS
2715-70-0- Standard SMILES
CCCCn1cnc2c(N)ncnc21- InChIKey
BKXMJMZKKNIYRD-UHFFFAOYSA-N- Molecular formula
- C9H13N5
- Average molar mass
- 191.23 g/mol
- Monoisotopic mass
- 191.11709544
Names & identifiers
- Preferred name
- 9-Butyl-9H-purin-6-amine
- IUPAC
- 9-butylpurin-6-amine
- English name
- 9H-Purin-6-amine,9-butyl-
- Molecular formula
- C9H13N5
- Molecular weight
- 191.23
Names & synonyms
9-Butyl-9H-purin-6-amine2715-70-09-butylpurin-6-amine9H-Purin-6-amine, 9-butyl-9-butyl-9H-purin-6-ylamine9H-Purin-6-amine,9-butyl-CHEMBL449628MFCD18843695NSC-190949-butyladenine9-Butyl-9H-adenineNSC19094
Show more names
NSC 19094Adenine, 9-butyl-9H-Purin-6-amine, 9-butyl- (9CI)YUB5RM7D27SCHEMBL1074972SCHEMBL27517627DTXSID10181617BKXMJMZKKNIYRD-UHFFFAOYSA-N
Database identifiers
- CAS
2715-70-0- PubChem CID
- 75929
- DTXSID
DTXSID10181617- ChEMBL
CHEMBL449628- UNII
- YUB5RM7D27
- Nikkaji
- J774.670I
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 186
Experimental & physicochemical properties
LogP1.25
Physicochemical properties
- Melting point
- 116 °C · 116 °C
- Boiling point
- 392.2 · 392.2±45.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 4.56 · 4.56±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Chemistry & industry
Suppliers3 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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