Basic information
- CAS
115994-87-1- Standard SMILES
O=C(Nc1ccccc1)N1CCNCC1- InChIKey
YEQDVKYOHVLZPU-UHFFFAOYSA-N- Molecular formula
- C11H15N3O
- Average molar mass
- 205.26 g/mol
- Monoisotopic mass
- 205.1215121
Names & identifiers
- Preferred name
- N-phenylpiperazine-1-carboxamide
- IUPAC
- N-phenylpiperazine-1-carboxamide
- English name
- Piperazine-1-carboxylic acid phenylamide
- Molecular formula
- C11H15N3O
- Molecular weight
- 205.26
Names & synonyms
N-phenylpiperazine-1-carboxamide115994-87-1DTXSID80426724RefChem:364846DTXCID10377558piperazine-1-carboxylic acid phenylamideMFCD01593572n-phenyl-1-piperazinecarboxamide1-Piperazinecarboxamide, N-phenyl-N-phenylpiperazin-amideN-phenylpiperazinylcarboxamideOprea1_487955
Show more names
N-Phenylpiperazine-1-carboxamide95%N-Phenylpiperazine-1-carboxamide 95%N-[(Piperazin-1-yl)carbonyl]aniline, 1-(Phenylcarbamoyl)piperazine
Oprea1_672325SCHEMBL656655SCHEMBL3723811SCHEMBL3759186SCHEMBL3759188CHEMBL1624072YEQDVKYOHVLZPU-UHFFFAOYSA-NHMS5216A20
Database identifiers
- CAS
115994-87-1- PubChem CID
- 7015289
- DTXSID
DTXSID80426724- ChEMBL
CHEMBL1624072
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 44.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Melting point
- 114 · 114-115 °C
- Boiling point
- 423.3 · 423.3±45.0 °C(Predicted)
- Density
- 1.192 · 1.192±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 13.94 · 13.94±0.70(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P271
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280-P271
Chemistry & industry
Suppliers6 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
51 records
Compound notes
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