Basic information
- CAS
3071-66-7- Standard SMILES
CCCNc1nc(Cl)nc(NCCC)n1- InChIKey
WKFQDZJPQYALOP-UHFFFAOYSA-N- Molecular formula
- C9H16ClN5
- Average molar mass
- 229.71 g/mol
- Monoisotopic mass
- 229.10942319
Names & identifiers
- Preferred name
- 6-chloro-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-chloro-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
- English name
- 1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-dipropyl-
- Molecular formula
- C9H16ClN5
- Molecular weight
- 229.71
Names & synonyms
6-chloro-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine3071-66-7DTXSID40274607RefChem:307864DTXCID502260766-CHLORO-N2,N4-DIPROPYL-1,3,5-TRIAZINE-2,4-DIAMINETimTec1_000851SCHEMBL2490426WKFQDZJPQYALOP-UHFFFAOYSA-NHMS1536G15AKOS017547958NCGC00175055-01
Show more names
1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-dipropyl-
ST009526BRD-K70010949-001-01-16-chloro-N,N'-dipropyl-[1,3,5]triazine-2,4-diamine6-Chloro-N,N'-di-n-propyl-[1,3,5]triazine-2,4-diamine[6-chloro-4-(propylamino)(1,3,5-triazin-2-yl)]propylamine6-Chloro-N~2~,N~4~-dipropyl-1,3,5-triazine-2,4-diamine
Database identifiers
- CAS
3071-66-7- PubChem CID
- 18304
- DTXSID
DTXSID40274607- Nikkaji
- J1.553.376E
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Melting point
- 210.5 · 210.5-212.0 °C
- Boiling point
- 387 · 387.0±25.0 °C(Predicted)
- Density
- 1.235 · 1.235±0.06 g/cm3(Predicted)
- pka
- 2.56 · 2.56±0.10(Predicted)
Chemistry & industry
Suppliers7 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]
上海技毅生物科技有限公司13621943973 · [email protected]
武汉沃格达生物科技有限公司15071299552 · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
Wuhan Topule Biopharmaceutical Co., Ltd+86-18327326525 · [email protected]
Related reactions
30 records
Compound notes
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