Basic information
- CAS
28947-77-5- Standard SMILES
CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC- InChIKey
LYYLWJOKAQADDU-UHFFFAOYSA-N- Molecular formula
- C48H99N
- Average molar mass
- 690.3 g/mol
- Monoisotopic mass
- 689.77775216
Names & identifiers
- Preferred name
- 1-Hexadecanamine, N,N-dihexadecyl-
- IUPAC
- N,N-dihexadecylhexadecan-1-amine
- English name
- Tri-hexadecylAmine
- Molecular formula
- C48H99N
- Molecular weight
- 690.31
Names & synonyms
Trihexadecylamine28947-77-51-Hexadecanamine, N,N-dihexadecyl-396I6A0OX1DTXSID0029345N,N-dihexadecyl-1-hexadecanamineRefChem:432950DTXCID709345608-294-8N,N-dihexadecylhexadecan-1-amine1-Hexadecanamine,N,N-dihexadecyl-MFCD00048473
Show more names
Tri-hexadecylAmine
UNII-396I6A0OX1C48H99NN,N,N-trihexadecylamineSCHEMBL164892LYYLWJOKAQADDU-UHFFFAOYSA-NAKOS015915148AS-61634SY415947
Database identifiers
- CAS
28947-77-5- PubChem CID
- 120102
- DTXSID
DTXSID0029345- UNII
- 396I6A0OX1
- EC Number
- 608-294-8
- Nikkaji
- J1.613.942D
Properties
Computed structural properties
- XLogP
- 23.5
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 45
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 467
Physicochemical properties
- Melting point
- 43 °C · 43°C
- Boiling point
- 597.91 °C · 597.91°C (rough estimate)
- Density
- 0.9262 · 0.9262 (estimate)
- refractive index
- 1.4871 · 1.4871 (estimate)
- pka
- 9.84 · 9.84±0.50(Predicted)
- FDA UNII
- 396 I6A0OX1 · 396I6A0OX1
- EPA Substance Registry System
- 1 · 1-Hexadecanamine, N,N-dihexadecyl- (28947-77-5)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Hexadecanamine, N,N-dihexadecyl-: ACTIVE
Suppliers14 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海鑫凯化学科技有限公司021-58930698 15921516558 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
威尔曼医药集团有限公司15807197853 18971451745 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
海蔚化学86-21-51086038 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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