Basic information
- CAS
822-08-2- Standard SMILES
NCCCCCCCCCCCN- InChIKey
KLNPWTHGTVSSEU-UHFFFAOYSA-N- Molecular formula
- C11H26N2
- Average molar mass
- 186.34 g/mol
- Monoisotopic mass
- 186.20959884
Names & identifiers
- Preferred name
- 1,11-Undecanediamine
- IUPAC
- undecane-1,11-diamine
- English name
- 1,11-Diaminoundecane
- Molecular formula
- C11H26N2
- Molecular weight
- 186.34
Names & synonyms
1,11-Diaminoundecane1,11-Undecanediamineundecane-1,11-diamineUndecamethylenediamineTY337ZST6UEINECS 212-486-3NSC 59818NSC-59818DTXSID0061169RefChem:71188DTXCID4048276KLNPWTHGTVSSEU-UHFFFAOYSA-N
Show more names
Undecane DiaMineRARECHEM AL BW 046611-aminoundecylamine1,11-Diaminoundecane>11-Aminoundecane-1-amineUndecamethylenediamine 1,11-Undecanediamine
822-08-2MFCD00142358NSC59818undecane 1,11-diamineUNII-TY337ZST6USCHEMBL26240CHEMBL570216orb3175737
Database identifiers
- CAS
822-08-2- PubChem CID
- 69966
- DTXSID
DTXSID0061169- ChEMBL
CHEMBL570216- UNII
- TY337ZST6U
- EC Number
- 212-486-3
- Nikkaji
- J195.071A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 74.2
Physicochemical properties
- Melting point
- 45 °C · 45 °C
- Boiling point
- 152 °C · 152 °C / 10mmHg
- Density
- 0.856 · 0.856±0.06 g/cm3(Predicted)
- storage temp.
- 0 · 0-10°C
- solubility
- Acetonitrile (Slightly), Chloroform (Slightly)
- form
- Solid
- pka
- 10.97 · 10.97±0.10(Predicted)
- color
- White to Off-White
- Stability
- Hygroscopic
- InChI
- 1S/C11H26N2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-13H2
- InChIKey
- KLNPWTHGTVSSEU-UHFFFAOYSA-N
- SMILES
- NCCCCCCCCCCCN
- FDA UNII
- 337 ZST6U · TY337ZST6U
- EPA Substance Registry System
- 1 · 1,11-Undecanediamine (822-08-2)
- UNSPSC Code
- 12352116 · 12352116
- Symbol(GHS)
- 7 · GHS07
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
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 CategoriesAcute Tox. 4 (50%)
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- hs_code
- 2921.29.0055
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,11-Undecanediamine: ACTIVE
Applications
Uses1,11-Diaminoundecane can be used for immunotherapy to treat plaque-forming diseases.
Suppliers49 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
Dalian Ruiying Technology Co., Ltd.+86-0411-86907150 +86-15940963210 · [email protected]
上海比阳实业有限公司+86-15021878111 · [email protected]
Related reactions
6 records
Compound notes
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