2-(4-(((9H-fluoren-9-yl)methoxy)carbonyl)piperazin-1-yl)acetic acid
Basic information
- CAS
180576-05-0- Standard SMILES
O=C(O)CN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1- InChIKey
XNWPGFGLHGFRRP-UHFFFAOYSA-N- Molecular formula
- C21H22N2O4
- Average molar mass
- 366.4 g/mol
- Monoisotopic mass
- 366.15795719
Names & identifiers
- Preferred name
- 2-(4-(((9H-fluoren-9-yl)methoxy)carbonyl)piperazin-1-yl)acetic acid
- IUPAC
- 2-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]acetic acid
- English name
- Fmoc-4-carboxymethyl-piperazine
- Molecular formula
- C21H22N2O4
- Molecular weight
- 366.41
Names & synonyms
2-(4-(((9H-Fluoren-9-yl)methoxy)carbonyl)piperazin-1-yl)acetic acid2-(4-{[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}PIPERAZIN-1-YL)ACETIC ACIDRefChem:456072857-391-3180576-05-0Fmoc-(4-carboxymethyl)piperazine4-Fmoc-1-piperazineacetic acidFmoc-Cmpi-OHMFCD00270202Fmoc-4-carboxymethyl-piperazine2-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]acetic Acid1-Piperazineacetic acid, 4-[(9H-fluoren-9-ylmethoxy)carbonyl]-
Show more names
FMOC-CMPIRARECHEM EM WB 0084N4-FMOC-PIZ-2-CARBOXYLIC ACID4-Fmoc-1-piperazineacetic acide4-fmoc-piperazin-1-ylacetic acid4-FMOC-1-PIPERAZINEACETIC ACIDH2O4-FMOC-PIPERAZINE-2-CARBOXYLIC ACID
(4-{[(9H-Fluoren-9-yl)methoxy]carbonyl}piperazin-1-yl)acetic acidSCHEMBL119822orb3176225SCHEMBL30481198SCHEMBL31398326DTXSID40359660AKOS012614571AS-71478
Database identifiers
- CAS
180576-05-0- PubChem CID
- 978353
- DTXSID
DTXSID40359660- EC Number
- 857-391-3
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 524
Physicochemical properties
- Melting point
- 119 · 119-121°C
- Boiling point
- 569.5 · 569.5±50.0 °C(Predicted)
- Density
- 1.295 · 1.295±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 2.4 · 2.40±0.10(Predicted)
- color
- White to Off-White
- Major Application
- peptide synthesis
- InChI
- 1S/C21H22N2O4.H2O/c24-20(25)13-22-9-11-23(12-10-22)21(26)27-14-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19;/h1-8,19H,9-14H2,(H,24,25);1H2
- InChIKey
- JKKYLQKTKJFMNJ-UHFFFAOYSA-N
- SMILES
- O.OC(=O)CN1CCN(CC1)C(=O)OCC2c3ccccc3-c4ccccc24
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 26 · NA.26
- Symbol(GHS)
- 9 · GHS09
- Signal word
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 10
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- ridadr
- UN 3077 9 / PGIII
- hs_code
- 29335990
- risk_code
- 50
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- hazard_code
- N
- safety_code
- 22-24/25-61
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H410
- Precautionary statements
- P273-P501
Chemistry & industry
Applications
UsesFmoc-(4-carboxymethyl)piperazine
Suppliers
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Related reactions
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Compound notes
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