1-(Diethylaminopropyl)-4-phenylpiperazine
Basic information
- CAS
101751-95-5- Standard SMILES
CCC(CC)(C(C)N)N1CCN(c2ccccc2)CC1- InChIKey
VHCQYCOPMWVUQB-UHFFFAOYSA-N- Molecular formula
- C17H29N3
- Average molar mass
- 275.4 g/mol
- Monoisotopic mass
- 275.23614794
Overview
potential brain imaging agent labeled with 125I; structure given in first source
Names & identifiers
- Preferred name
- 1-(Diethylaminopropyl)-4-phenylpiperazine
- IUPAC
- 3-ethyl-3-(4-phenylpiperazin-1-yl)pentan-2-amine
- English name
- 1-(diethylaminopropyl)-4-phenylpiperazine
- Molecular weight
- 0
Names & synonyms
1-(Diethylaminopropyl)-4-phenylpiperazineRefChem:74676101751-95-53-ethyl-3-(4-phenylpiperazin-1-yl)pentan-2-amineDTXSID309065861-Piperazinepropanamine, N,N-diethyl-4-phenyl-
Database identifiers
- CAS
101751-95-5- PubChem CID
- 124589
- DTXSID
DTXSID30906586
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 32.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- HS Code
- 2933599090 · 2933599090
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
- hs_code
- 2933599090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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