Isonipecotic acid hydrochloride
Basic information
- CAS
5984-56-5- Standard SMILES
Cl.O=C(O)C1CCNCC1- InChIKey
NVUYWKBRSRPYMH-UHFFFAOYSA-N- Molecular formula
- C6H12ClNO2
- Average molar mass
- 165.62 g/mol
- Monoisotopic mass
- 165.0556563
Names & identifiers
- Preferred name
- Isonipecotic acid hydrochloride
- IUPAC
- piperidine-4-carboxylic acid;hydrochloride
- English name
- Isonipecotic acid hydrochloride
- Molecular formula
- C6H12ClNO2
- Molecular weight
- 165.62
Names & synonyms
5984-56-5Isonipecotic acid hydrochloride4-Piperidinecarboxylic acid, hydrochloride4-PIPERIDINECARBOXYLIC ACID HYDROCHLORIDEIsonipecotic acid, hydrochloride9Y7QNE4DH3Isonipecotic acid hydrochloride [MI]4-Piperidinecarboxylic acid, hydrochloride (1:1)DTXSID00208564RefChem:791937DTXCID50131055611-901-9
Show more names
ADAMANTANE-1,3-DIOLAKOS BC-04701,3-ADAMANTANDIOLIsonipecoticacidHClTIMTEC-BB SBB003906Piperidine-4-carboxylic acid, HClTRICYCLO[3.3.1.13,7]DECANE-1,3-DIOLIsonipecotic acid hydrochloride,97%4-Piperidinecaboxylic acid hydrochloride
piperidine-4-carboxylic acid hydrochloridepiperidine-4-carboxylic acid;hydrochlorideUNII-9Y7QNE4DH3MFCD00044736SCHEMBL1703706piperidine-4-carboxylicacidhydrochloridePIPERIDINE-4-CARBOXYLIC ACID HCLCS-0054434
Database identifiers
- CAS
5984-56-5- PubChem CID
- 22298
- DTXSID
DTXSID00208564- UNII
- 9Y7QNE4DH3
- EC Number
- 611-901-9
Properties
Computed structural properties
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- Melting point
- 295 °C · 295 °C
- Density
- 1.39 g/cm3 · 1.39g/cm3 at 20℃
- vapor pressure
- 0 · 0-0Pa at 20-25℃
- storage temp.
- Inert atmosphere,Room Temperature
- form
- Crystalline Powder
- color
- White to cream
- Water Solubility
- 320 g/L · 320 g/L (20 ºC)
- LogP
- -3.2 at · -3.2 at 20℃ and pH7
- CAS DataBase Reference
- 5984 · 5984-56-5(CAS DataBase Reference)
- FDA UNII
- 9 Y7QNE4DH3 · 9Y7QNE4DH3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 4-piperidinecarboxylic acid hydrochloride (EC: 611-901-9)
Hazard Classes and CategoriesEye Dam. 1 (66.7%)
Safety data
- wgk
- 3
- hs_code
- 29339980
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
1 records
Compound notes
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