Basic information
- CAS
885951-69-9- Standard SMILES
CC1CNCCC1C(=O)O- InChIKey
WLGOHASCUQHBRC-UHFFFAOYSA-N- Molecular formula
- C7H13NO2
- Average molar mass
- 143.18 g/mol
- Monoisotopic mass
- 143.09462866
Names & identifiers
- Preferred name
- 3-Methyl-4-piperidinecarboxylic acid
- IUPAC
- 3-methylpiperidine-4-carboxylic acid
- English name
- 3-Methyl-4-piperidinecarboxylic acid
- Molecular formula
- C7H13NO2
- Molecular weight
- 143.18
Names & synonyms
3-methylpiperidine-4-carboxylic Acid3-Methyl-4-piperidinecarboxylic acid885951-69-9MFCD034262993-methyl-4-carboxy piperidinecis-3-methylpiperidine-4-carboxylic acidSCHEMBL3027763WLGOHASCUQHBRC-UHFFFAOYSA-NDTXSID2013825781207319-62-73-methylpiperidine-4-carboxylicAcid3-methyl-piperidine-4-carboxylic acid
Show more names
4-Piperidinecarboxylic acid, 3-methyl-
AKOS006282368SB41617BS-29631SY455823DB-304751CS-0184821EN300-77410
Database identifiers
- CAS
885951-69-9- PubChem CID
- 4248617
- DTXSID
DTXSID201382578
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Boiling point
- 267 · 267.0±33.0 °C(Predicted)
- Density
- 1.062 · 1.062±0.06 g/cm3(Predicted)
- pka
- 4.05 · 4.05±0.40(Predicted)
- Hazard Codes
- Xi
- Risk Statements
- 41 · 41
- Safety Statements
- 26 · 26-39
Safety & regulation
Safety data
- risk_code
- 41
- hazard_code
- Xi
- safety_code
- 26-39
Chemistry & industry
Suppliers5 total
NINGBOBENKANGJS PHARMTECHCO., LTD+8615990591583 15990591583
海济医药科技（苏州）有限公司18012778619 · [email protected]
宁波苯康基石医药科技有限公司15990591583
泰迩生物医药泰州有限公司052386810091 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
Related reactions
1 records
Compound notes
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