3-(Isotridecyloxy)-1-propanamine
Basic information
- CAS
1246643-09-3- Standard SMILES
CC(C)CCCCCCCCCCOCCCN- InChIKey
CUFBDUDYFHCIOH-UHFFFAOYSA-N- Molecular formula
- C16H35NO
- Average molar mass
- 257.45 g/mol
- Monoisotopic mass
- 257.27186474
Names & identifiers
- Preferred name
- 3-(Isotridecyloxy)-1-propanamine
- IUPAC
- 3-(11-methyldodecoxy)propan-1-amine
- English name
- 3-(isotridecyloxy)propylamine
- Molecular formula
- C16H35NO
- Molecular weight
- 257.4552
Names & synonyms
50977-10-11-Propanamine, 3-(isotridecyloxy)-RefChem:4953453-(Isotridecyloxy)-1-propanamineDTXSID601033369256-881-93-(Isotridecyloxy)propylamine3-(11-methyldodecoxy)propan-1-aminePropylamine, 3-isotridecoxy-EINECS 256-881-93-[(11-Methyldodecyl)oxy]-1-propanamineEC 256-881-9
Show more names
FENTAMINE OPA-13Isotridecyloxypropyl amine3-(11-methyldodecoxy)-1-propanamine
3-[(11-METHYLDODECYL)OXY]PROPAN-1-AMINESCHEMBL496717DTXSID80873476CUFBDUDYFHCIOH-UHFFFAOYSA-NAKOS015894474NS000066531246643-09-3
Database identifiers
- CAS
1246643-09-3、151789-06-9、50977-10-1- PubChem CID
- 170945
- DTXSID
DTXSID80873476- EC Number
- 256-881-9
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Density
- 855 · 855[at 20℃]
- vapor pressure
- 0.425 Pa · 0.425Pa at 20℃
- Water Solubility
- 210 mg/L · 210mg/L at 23℃
- EPA Substance Registry System
- 1 · 1-Propanamine, 3-(isotridecyloxy)- (50977-10-1)
- Symbol(GHS)
- 7 · GHS07,GHS09,GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H410-H302
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P273-P391-P501-P264-P270-P301+P312-P330-P501
- TSCA
- TSCA listed
- 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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P391, 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
Regulatory InformationREACH registered substance: 3-(isotridecyloxy)propylamine (EC: 256-881-9)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS09,GHS05
- Hazard statements
- H314-H410-H302
- REACH Registrations
- Active
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P273-P391-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propanamine, 3-(isotridecyloxy)-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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