Heptadecan-9-amine
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Basic information
- CAS
3241-20-1- Standard SMILES
CCCCCCCCC(N)CCCCCCCC- InChIKey
XLHBQRJOHIHZGQ-UHFFFAOYSA-N- Molecular formula
- C17H37N
- Average molar mass
- 255.5 g/mol
Names & identifiers
- Preferred name
- Heptadecan-9-amine
- IUPAC
- heptadecan-9-amine
- English name
- Heptadecan-9-amine
- Molecular formula
- C17H37N
- Molecular weight
- 255.48
Names & synonyms
heptadecan-9-amine3241-20-1RefChem:783598833-741-09-Heptadecanamine9-aminoheptadecane1-OctylnonylamineMFCD307429059-amino heptadecaneSCHEMBL408902BP-24442BP-27931
Show more names
C89-NH2eptadecan-9-amine
BS-52382H1640T72292N-(DBCO-PEG4)-N-Biotin-PEG4-hydrazide TFA saltMal-amido-PEG36-TFP esterorb3022035SCHEMBL7765585TYD-01984
Database identifiers
- CAS
3241-20-1- PubChem CID
- 408570
- EC Number
- 833-741-0
Properties
Computed structural propertiesFilling in
- XLogP
- 7.3
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 14
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Boiling point
- 120 °C/0.1mmHg · 120°C/0.1mmHg(lit.)
- Density
- 0.8093 g/cm3 · 0.8093 g/cm3(Temp: 24 °C)
- refractive index
- 1.446 to · 1.4460 to 1.4500
- pka
- 11.09 · 11.09±0.35(Predicted)
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- InChI
- InChI=1S/C17H37N/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2/h17H,3-16,18H2,1-2H3
- InChIKey
- XLHBQRJOHIHZGQ-UHFFFAOYSA-N
- SMILES
- CCCCCCCCC(N)CCCCCCCC
- CAS DataBase Reference
- 3241 · 3241-20-1
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 501 · P501-P264-P280-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, 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 Corr. 1B (100%)
Safety data
- ridadr
- UN 2735 8/PG II
- hs_code
- 2921.19.6190
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_class
- 8
- packing_group
- II
- Hazard statements
- H314
- Precautionary statements
- P501-P264-P280-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405
Chemistry & industry
Applications
UsesHeptadecan-9-amine (9-Aminoheptadecane) is PEG linker containing a maleimide and TFP ester end group. Maleimide groups are reactive with thiols between pH 6.5 and 7.5. The TFP ester can react with primary amine groups and is also less susceptible to undergo hydrolysis compared to NHS ester. The hydrophilic PEG chains increase the water solubility of a compound in aqueous media. Longer PEG chains have improved water solubility relative to shorter PEG chains.
Related reactions
1 records
Compound notes
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