Basic information
- CAS
358733-61-6- Standard SMILES
O=C(CCl)N1CCN(C(c2ccccc2)c2ccccc2)CC1- InChIKey
LJSDPVAMDBJJSB-UHFFFAOYSA-N- Molecular formula
- C19H21ClN2O
- Average molar mass
- 328.8 g/mol
- Monoisotopic mass
- 328.134241
Names & identifiers
- Preferred name
- 1-Benzhydryl-4-(chloroacetyl)piperazine
- IUPAC
- 1-(4-benzhydrylpiperazin-1-yl)-2-chloroethanone
- English name
- 1-(4-BENZHYDRYL-PIPERAZIN-1-YL)-2-CHLORO-ETHANONE
- Molecular formula
- C19H21ClN2O
- Molecular weight
- 328.84
Names & synonyms
358733-61-61-Benzhydryl-4-(chloroacetyl)piperazine2-chloro-1-[4-(diphenylmethyl)piperazin-1-yl]ethan-1-one1-(4-benzhydrylpiperazin-1-yl)-2-chloroethanoneNSC6145711-(4-Benzhydryl-piperazin-1-yl)-2-chloro-ethanone1-(4-Benzhydrylpiperazin-1-yl)-2-chloroethan-1-one1-(4-benzhydrylpiperazin-1-yl)-2-chloro-ethanoneSIM-SYN-f15aaa3a-11-(4-benzhydryl-piperazin-1-yl)-2-chloroethanoneSCHEMBL3301602DTXSID70326769
Show more names
AKOS BB-4137BUTTPARK 121\04-81Ethanone, 2-chloro-1-[4-(diphenylmethyl)-1-piperazinyl]-
LJSDPVAMDBJJSB-UHFFFAOYSA-NBDBM496734STK164801AKOS002664720NSC-614571CS-02697491-(chloroacetyl)-4-(diphenylmethyl)piperazineEN300-18364
Database identifiers
- CAS
358733-61-6- PubChem CID
- 357002
- DTXSID
DTXSID70326769
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Boiling point
- 461.8 · 461.8±45.0 °C(Predicted)
- Density
- 1.202 · 1.202±0.06 g/cm3(Predicted)
- pka
- 5.88 · 5.88±0.10(Predicted)
Chemistry & industry
Suppliers1 total
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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