Cycloglutamate
Basic information
- CAS
24885-60-7- Standard SMILES
N[C@]1(C(=O)O)CCC[C@@H](C(=O)O)C1- InChIKey
FOJYRYZUTAPBAJ-SVGQVSJJSA-N- Molecular formula
- C8H13NO4
- Average molar mass
- 187.19 g/mol
- Monoisotopic mass
- 187.0844579
Overview
RN given refers to (trans)-(+-)-isomer
Names & identifiers
- Preferred name
- Cycloglutamate
- IUPAC
- cis-(1R,3R)-1-aminocyclohexane-1,3-dicarboxylic acid
- English name
- cycloglutamate
- Molecular formula
- C8H13NO4
- Molecular weight
- 187.19
Names & synonyms
Cycloglutamate24885-60-7RefChem:129486(1r,3r)-1-aminocyclohexane-1,3-dicarboxylic acid1-Amino-1,3-cyclohexanedicarboxylic acidDTXSID309477771-aminocyclohexane-1,3-dicarboxylic acid115730-37-5(+/-)-1-aminocyclohexane-1,3-dicarboxylic acidrel-(1R,3R)-1-Amino-1,3-cyclohexanedicarboxylic acid1,3-Cyclohexanedicarboxylic acid, 1-amino-, (1R,3R)-rel-
Database identifiers
- CAS
24885-60-7- PubChem CID
- 168210
- DTXSID
DTXSID30947777- EC Number
- 636-717-6
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Boiling point
- 363.114 · 363.114±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.367 · 1.367±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.744 · 2.744±0.50(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…