3-(1,4,5,6-Tetrahydro-pyrimidin-2-ylsulfanyl)-propylamine hydrobromide
Basic information
- CAS
435345-26-9- Standard SMILES
Br.NCCCSC1=NCCCN1- InChIKey
RMGSJXDDWDZLSX-UHFFFAOYSA-N- Molecular formula
- C7H16BrN3S
- Average molar mass
- 254.19 g/mol
- Monoisotopic mass
- 253.02483
Names & identifiers
- Preferred name
- 3-(1,4,5,6-Tetrahydro-pyrimidin-2-ylsulfanyl)-propylamine hydrobromide
- IUPAC
- 3-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)propan-1-amine;hydrobromide
- English name
- 3-(1,4,5,6-Tetrahydro-pyrimidin-2-ylsulfanyl)-propylamine hydrobromide
- Molecular formula
- C7H16BrN3S
- Molecular weight
- 254.19
Names & synonyms
435345-26-93-(1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLSULFANYL)-PROPYLAMINE HYDROBROMIDE3-((1,4,5,6-Tetrahydropyrimidin-2-yl)thio)propan-1-amine hydrobromide3-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)propan-1-amine;hydrobromideC7H16BrN3Shydron;3-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)propan-1-amine;bromideSMR000010225MLS000068306CHEMBL1376634DTXSID60424940MFCD06801309AKOS015834076
Show more names
SB37183DB-2614633-((1,4,5,6-Tetrahydropyrimidin-2-yl);thio);propan-1-amine hydrobromide3-((1,4,5,6-Tetrahydropyrimidin-2-yl)thio)propan-1-aminehydrobromide3-[(1,4,5,6-Tetrahydropyrimidin-2-yl)sulfanyl]propan-1-amine--hydrogen bromide (1/1)
Database identifiers
- CAS
435345-26-9- PubChem CID
- 6602989
- DTXSID
DTXSID60424940- ChEMBL
CHEMBL1376634
Properties
Computed structural properties
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…