Basic information
- CAS
79421-45-7- Standard SMILES
O=[N+]([O-])c1ccc(N2CCC(O)CC2)cc1- InChIKey
RNPWPESLLCUROD-UHFFFAOYSA-N- Molecular formula
- C11H14N2O3
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.10044231
Names & identifiers
- Preferred name
- 1-(4-Nitrophenyl)-4-piperidinol
- IUPAC
- 1-(4-nitrophenyl)piperidin-4-ol
- English name
- 4-Hydroxy-1-(4-nitrophenyl)piperidine
- Molecular formula
- C11H14N2O3
- Molecular weight
- 222.24
Names & synonyms
79421-45-71-(4-Nitrophenyl)-4-piperidinolDTXSID30346645RefChem:74537DTXCID602977171-(4-nitrophenyl)piperidin-4-ol4-Hydroxy-1-(4-nitrophenyl)piperidineMFCD002155184-Piperidinol, 1-(4-nitrophenyl)-CL8008AKOS000600310MB00937
Show more names
4-amino-3-(3,4,8-trimethoxyphenyl)butanoicacid1-(4-Nitrophenyl)piperidin-4-ol, 4-(4-Hydroxypiperidin-1-yl)nitrobenzene
PD129742SY122953CS-01468765F-9521-(4-Nitro-phenyl)-piperidin-4-ol1-(4-nitrophenyl)-4-hydroxypiperidine1-(4-Nitrophenyl)-4-pOprea1_748408
Database identifiers
- CAS
79421-45-7- PubChem CID
- 613768
- DTXSID
DTXSID30346645- Nikkaji
- J1.399.394G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Melting point
- 114 · 114-116 °C(Solv: isopropanol (67-63-0))
- Boiling point
- 421.5 · 421.5±40.0 °C(Predicted)
- Density
- 1.303 · 1.303±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 14.69 · 14.69±0.20(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers30 total
上海康恩博医药科技有限公司17510465506 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
河北贝克曼生物科技有限公司15961617865 15961617865 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海宣月科技有限公司
Related reactions
11 records
Compound notes
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