Basic information
- CAS
1187-33-3- Standard SMILES
CCCCN(CCCC)C(=O)CC- InChIKey
XAROAZKXMDRYAF-UHFFFAOYSA-N- Molecular formula
- C11H23NO
- Average molar mass
- 185.31 g/mol
- Monoisotopic mass
- 185.17796436
Names & identifiers
- Preferred name
- N,N-Dibutylpropanamide
- IUPAC
- N,N-dibutylpropanamide
- English name
- N,N-Dibutyl-1,3-propanediamine
- Molecular formula
- C11H23NO
- Molecular weight
- 185.31
Names & synonyms
N,N-dibutylpropanamidePropanamide, N,N-dibutyl-DibutylpropionamideN,N-DibutylpropionamidePropionamide, N,N-dibutyl-0NJ1X32ODANSC 12063BRN 1763246AI3-02842NSC-12063UNII-0NJ1X32ODADTXSID5061582
Show more names
4-04-00-00570 (Beilstein Handbook Reference)RefChem:161143DTXCID6033455849-613-21187-33-3N,N-dibutyl-propionamideNSC12063Propanamide,N-dibutyl-
Database identifiers
- CAS
1187-33-3- PubChem CID
- 70909
- DTXSID
DTXSID5061582- UNII
- 0NJ1X32ODA
- EC Number
- 849-613-2
- Nikkaji
- J40.757G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 126
Experimental & physicochemical properties
SpringerMaterials PropertiesViscosity
Physicochemical properties
- Boiling point
- 319.55 °C · 319.55°C (rough estimate)
- Density
- 0.9315 · 0.9315 (rough estimate)
- refractive index
- 1.442 · 1.4420 (estimate)
- pka
- -0.41 · -0.41±0.70(Predicted)
- FDA UNII
- 0 NJ1X32ODA · 0NJ1X32ODA
- EPA Substance Registry System
- Propanamide, N,N-dibutyl- (1187-33-3)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H302-H412
- Precautionary statements
- 273 · P273-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 28 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 CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H315-H318-H302-H412
- Precautionary statements
- P273-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanamide, N,N-dibutyl-: ACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers1 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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