Basic information
- CAS
68564-88-5- Standard SMILES
CCCCCCCNCCCCCCCCCCC(=O)O- InChIKey
GNHLOUIICBHQIT-UHFFFAOYSA-N- Molecular formula
- C18H37NO2
- Average molar mass
- 299.5 g/mol
- Monoisotopic mass
- 299.28242942
Names & identifiers
- Preferred name
- 11-(Heptylamino)undecanoic acid
- IUPAC
- 11-(heptylamino)undecanoic acid
- English name
- 11-(heptylamino)undecanoic acid
- Molecular formula
- C18H37NO2
- Molecular weight
- 299.49
Names & synonyms
11-(Heptylamino)undecanoic acid68564-88-5EINECS 271-487-7DTXSID00218668RefChem:77775DTXCID50141159271-487-7(1-cheptylamino)undecanoic acidUndecanoic acid, 11-(heptylamino)-11-Heptylaminoundecanoic acidSCHEMBL60036111-(Heptylamino)undecanoicacid
Show more names
N-HEPTYLAMINOUNDECANOICACID11-(Heptylamino)undecansureN-HEPTYLAMINO-11-UNDECANOICACID
GNHLOUIICBHQIT-UHFFFAOYSA-NMFCD23142811AKOS028108483AS-60438NS00036661A10956
Database identifiers
- CAS
68564-88-5- PubChem CID
- 110593
- DTXSID
DTXSID00218668- EC Number
- 271-487-7
- Nikkaji
- J309.218F
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Boiling point
- 420.6 ℃[at · 420.6℃[at 101 325 Pa]
- Density
- 1.012 · 1.012[at 20℃]
- vapor pressure
- 0 Pa · 0Pa at 20℃
- pka
- 4.78 · 4.78±0.10(Predicted)
- Water Solubility
- 29.8 mg/L · 29.8mg/L at 19.9℃
- LogP
- 1.8 at · 1.8 at 21.8℃
- REACH Registrations
- Active
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
This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.
Warning
H317 (33.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: 11-(heptylamino)undecanoic acid (EC: 271-487-7)
Hazard Classes and CategoriesSkin Sens. 1 (33.3%)
Safety data
- REACH Registrations
- Active
Chemistry & industry
Suppliers5 total
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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