Basic information
- CAS
1039741-55-3- Standard SMILES
NC1CCN(Cc2ccccc2)CC1(F)F- InChIKey
UYGYDHWSKUCHFY-UHFFFAOYSA-N- Molecular formula
- C12H16F2N2
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.12815495
Names & identifiers
- Preferred name
- 1-Benzyl-3,3-difluoropiperidin-4-amine
- IUPAC
- 1-benzyl-3,3-difluoropiperidin-4-amine
- English name
- 1-benzyl-3,3-difluoropiperidin-4-aMine
- Molecular formula
- C12H16F2N2
- Molecular weight
- 226.27
Names & synonyms
1-benzyl-3,3-difluoropiperidin-4-amine1039741-55-3MFCD184336323,3-Difluoro-1-(phenylmethyl)-4-piperidinamineSCHEMBL2227146DTXSID101250091AKOS027384609CS-W001283SB438431-benzyl-3,3-difluoro-piperidin-4-amine1-benzyl-3,3-difluoropiperidine-4-amineAS-48668
Show more names
1-Benzyl-3,3-difluoro-piperidin-4-ylamine4-Piperidinamine, 3,3-difluoro-1-(phenylmethyl)-racemic 1-benzyl-3,3-difluoro-piperidin-4-ylamine
DB-092963F52361F535246
Database identifiers
- CAS
1039741-55-3- PubChem CID
- 59291968
- DTXSID
DTXSID101250091
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Boiling point
- 285.2 · 285.2±40.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 7.71 · 7.71±0.40(Predicted)
- Appearance
- yellow oil or liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers17 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海凌飞医药科技有限公司15618928656 · [email protected]
艾琪康医药科技（上海）有限公司13661411401 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
上海旭仁化学科技有限公司021-31007982 18019432809 · [email protected]
常州市新纪元医药化工咨询有限公司17317567081 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
艾琪康医药科技（上海）有限公司13512160998; 13512160998 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
艾览（上海）化工科技有限公司400-668-9898 · [email protected]
上海吉至生化科技有限公司
Related reactions
1 records
Compound notes
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