Basic information
- CAS
166249-84-9- Standard SMILES
CC1CCN(C(=O)OCc2ccccc2)C(C(=O)O)C1- InChIKey
CHHYCTGYIQOAJQ-UHFFFAOYSA-N- Molecular formula
- C15H19NO4
- Average molar mass
- 277.31 g/mol
- Monoisotopic mass
- 277.13140809
Names & identifiers
- Preferred name
- 1-((Benzyloxy)carbonyl)-4-methylpiperidine-2-carboxylic acid
- IUPAC
- 4-methyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
- English name
- 4-Methyl-Piperidine-1,2-Dicarboxylic Acid 1-Benzyl Ester
- Molecular formula
- C15H19NO4
- Molecular weight
- 277.32
Names & synonyms
1353629-99-8166249-84-91-((Benzyloxy)carbonyl)-4-methylpiperidine-2-carboxylic acid4-METHYL-PIPERIDINE-1,2-DICARBOXYLIC ACID 1-BENZYL ESTER4-methyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid1-Cbz-4-methyl-piperidine-2-carboxylic acid(2S,4S)-1-Cbz-4-methyl-piperidine-2-carboxylic acidMFCD106883662331211-43-71-[(Benzyloxy)carbonyl]-4-methylpiperidine-2-carboxylic acidtrans-1-Cbz-4-methyl-piperidine-2-carboxylic acidcis-1-Cbz-4-methyl-piperidine-2-dicarboxylicacid
Show more names
1,2-Piperidinedicarboxylic acid, 4-methyl-, 1-(phenylmethyl) ester
(2S,4S)-1-Cbz-4-methyl-piperidine-2-carboxylicacid2387534-92-9SCHEMBL2760309DTXSID90596568AKOS026739788SB32991SB34143SB35768
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Boiling point
- 445.8 · 445.8±45.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 4.02 · 4.02±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers7 total
苏州奥佰医药科技有限公司1483287082 19962651230 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [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]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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