Dimethyl-[3-(tetrahydro-pyrimidin-1-yl)-propyl]-amine
Basic information
- CAS
510764-57-5- Standard SMILES
CN(C)CCCN1CCCNC1- InChIKey
CWJPMGXDTZDMJF-UHFFFAOYSA-N- Molecular formula
- C9H21N3
- Average molar mass
- 171.28 g/mol
- Monoisotopic mass
- 171.17354768
Names & identifiers
- Preferred name
- Dimethyl-[3-(tetrahydro-pyrimidin-1-yl)-propyl]-amine
- IUPAC
- 3-(1,3-diazinan-1-yl)-N,N-dimethylpropan-1-amine
- English name
- Dimethyl-[3-(tetrahydro-pyrimidin-1-yl)-propyl]-amine
- Molecular formula
- C9H21N3
- Molecular weight
- 171.28
Names & synonyms
510764-57-5Dimethyl-[3-(tetrahydro-pyrimidin-1-yl)-propyl]-amineN,N-Dimethyl-3-(tetrahydropyrimidin-1(2H)-yl)propan-1-amine3-(1,3-diazinan-1-yl)-N,N-dimethylpropan-1-amine[3-(1,3-diazinan-1-yl)propyl]dimethylamineMFCD03724735DTXSID40353800AKOS006277563SB56928EU-0048381ST50277743F73337
Show more names
F0294251(2H)-Pyrimidinepropanamine, tetrahydro-N,N-dimethyl-3-hexahydropyrimidin-1-yl-N,N-dimethyl-propan-1-amine
Database identifiers
- CAS
510764-57-5- PubChem CID
- 753789
- DTXSID
DTXSID40353800
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Boiling point
- 235.775 · 235.775±8.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.912 · 0.912±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.547 · 9.547±0.20(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
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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