Basic information
- CAS
29873-33-4- Standard SMILES
CCCCCCCCCCCCSCCCN- InChIKey
AJJBNKUPXKYSKX-UHFFFAOYSA-N- Molecular formula
- C15H33NS
- Average molar mass
- 259.5 g/mol
- Monoisotopic mass
- 259.23337123
Names & identifiers
- Preferred name
- 3-(Dodecylthio)-1-propanamine
- IUPAC
- 3-dodecylsulfanylpropan-1-amine
- English name
- 3-(dodecylthio)propylamine
- Molecular formula
- C15H33NS
- Molecular weight
- 259.49422
Names & synonyms
1-Propanamine, 3-(dodecylthio)-29873-33-4Propylamine, 3-(dodecylthio)-3-(dodecylthio)-1-propanamineV4SGD88HFWEINECS 249-919-0UNII-V4SGD88HFWNSC 141141NSC-141141DTXSID3067522RefChem:92634DTXCID5038090
Show more names
3-Dodecylthio-1-propanamine3-dodecylsulfanylpropan-1-amine
249-919-03-Dodecylthiopropylamine3-(Dodecylthio)propylamine1-Propanamine,3-(dodecylthio)-3-(dodecylsulfanyl)propan-1-amineNSC141141SCHEMBL4428296SCHEMBL9313911
Database identifiers
- CAS
29873-33-4- PubChem CID
- 97659
- DTXSID
DTXSID3067522- UNII
- V4SGD88HFW
- EC Number
- 249-919-0
- Nikkaji
- J286.979I
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- FDA UNII
- 4 SGD88HFW · V4SGD88HFW
- EPA Substance Registry System
- 1 · 1-Propanamine, 3-(dodecylthio)- (29873-33-4)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H318-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
- 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.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H318-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propanamine, 3-(dodecylthio)-: INACTIVE
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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