Basic information
- CAS
13329-71-0- Standard SMILES
CCCCCCCCCCCCCCCCCCNC(C)C- InChIKey
WHFZOMWNDCWQRF-UHFFFAOYSA-N- Molecular formula
- C21H45N
- Average molar mass
- 311.6 g/mol
- Monoisotopic mass
- 311.35520044
Names & identifiers
- Preferred name
- 1-Octadecanamine, N-(1-methylethyl)-
- IUPAC
- N-propan-2-yloctadecan-1-amine
- English name
- N-isopropyloctadecylamine
- Molecular formula
- C21H45N
- Molecular weight
- 311.59
Names & synonyms
13329-71-01-Octadecanamine, N-(1-methylethyl)-IsopropyloctadecylamineOCTADECYLAMINE, N-ISOPROPYL-EINECS 236-378-0N-(1-Methylethyl)-1-octadecanamineDTXSID7065415RefChem:76735DTXCID5034143N-IsopropyloctadecylamineN-propan-2-yloctadecan-1-amineN-(propan-2-yl)octadecan-1-amine
Show more names
N-Isopropyloctadecan-1-amine
SCHEMBL1026323WHFZOMWNDCWQRF-UHFFFAOYSA-NSTK377844AKOS005137987NS00024276
Database identifiers
- CAS
13329-71-0- PubChem CID
- 25883
- DTXSID
DTXSID7065415- EC Number
- 236-378-0
- Nikkaji
- J34.603I
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 18
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Melting point
- 31 °C · 31°C (estimate)
- Boiling point
- 371.61 °C · 371.61°C (estimate)
- Density
- 0.8277 · 0.8277 (estimate)
- refractive index
- 1.456 · 1.4560 (estimate)
- pka
- 10.78 · 10.78±0.29(Predicted)
- EPA Substance Registry System
- 1 · 1-Octadecanamine, N-(1-methylethyl)- (13329-71-0)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Octadecanamine, N-(1-methylethyl)-: INACTIVE
Suppliers4 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海珂华生物科技有限公司021-58581007 18019463053 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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