Basic information
- CAS
6021-23-4- Standard SMILES
NCCCCc1cccnc1- InChIKey
WSPOELFRDPKVAZ-UHFFFAOYSA-N- Molecular formula
- C9H14N2
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.11569846
Names & identifiers
- Preferred name
- Pyridine, 3-(4-aminobutyl)-
- IUPAC
- 4-pyridin-3-ylbutan-1-amine
- English name
- 5-22-09-00443 (Beilstein Handbook Reference)
- Molecular formula
- C9H14N2
- Molecular weight
- 150.22
Names & synonyms
3-Pyridinebutanamine3-(4-Aminobutyl)pyridine3-PyridylbutylaminePyridine, 3-(4-aminobutyl)-4-(3-Pyridyl)butylamine4-(beta-Pyridyl)butylamineBRN 0117401DTXSID502089585-22-09-00443 (Beilstein Handbook Reference)RefChem:3767033-Pyridinebutanamine (9CI)DTXCID00131449
Show more names
4-(Pyridin-3-yl)butan-1-amine6021-23-44-(3-pyridinyl)butylamine3-pyridine butanamine4-(3-pyridyl)butan-1-amineSCHEMBL2673539SCHEMBL6319382WSPOELFRDPKVAZ-UHFFFAOYSA-N
Database identifiers
- CAS
6021-23-4- PubChem CID
- 72927
- DTXSID
DTXSID50208958- Nikkaji
- J1.587.124E
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 93
Physicochemical properties
- Boiling point
- 104.5 · 104.5-105.5 °C(Press: 1.5 Torr)
- Density
- 0.987 · 0.987±0.06 g/cm3(Predicted)
- pka
- 10.4 · 10.40±0.10(Predicted)
Chemistry & industry
Suppliers2 total
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
Related reactions
90 records
Compound notes
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