6-Benzamidohexanoic acid
Basic information
- CAS
956-09-2- Standard SMILES
O=C(O)CCCCCNC(=O)c1ccccc1- InChIKey
LFCIOBCYMAQQBT-UHFFFAOYSA-N- Molecular formula
- C13H17NO3
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.1208434
Names & identifiers
- Preferred name
- 6-Benzamidohexanoic acid
- IUPAC
- 6-benzamidohexanoic acid
- English name
- 6-benzamidohexanoic acid
- Molecular formula
- C13H17NO3
- Molecular weight
- 235.28
Names & synonyms
6-Benzamidohexanoic acid956-09-26-(Benzoylamino)hexanoic acidEINECS 213-477-7DTXSID00241890NSC 3159RefChem:540435DTXCID30164381213-477-76-(phenylformamido)hexanoic acid6-Benzoylamino-hexanoic acidHexanoic acid, 6-(benzoylamino)-
Show more names
Benzoylaminocaproicacid6-(Benzoylamino)caproic acid
Hexanoic acid, .epsilon.-benzamido-MFCD002248036-(phenylcarbonylamino)hexanoic acid6-benzamido-hexanoic acid6-benzoylaminocaproic acidE-Benzamido coproic acidUPCMLD00WMAL442MLS000530191
Database identifiers
- CAS
956-09-2- PubChem CID
- 70388
- DTXSID
DTXSID00241890- ChEMBL
CHEMBL122069- EC Number
- 213-477-7
- Nikkaji
- J24.957B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Melting point
- 79 °C · 79 °C
- Boiling point
- 488.4 · 488.4±28.0 °C(Predicted)
- Density
- 1.136 · 1.136±0.06 g/cm3(Predicted)
- pka
- 4.75 · 4.75±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H335-H315
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
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 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 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
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H335-H315
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Suppliers
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Related reactions
5 records
Compound notes
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