N,N'-bis(3-methylbutyl)propanediamide
Basic information
- CAS
126947-45-3- Standard SMILES
CC(C)CCNC(=O)CC(=O)NCCC(C)C- InChIKey
UCTJMAHVRZXADJ-UHFFFAOYSA-N- Molecular formula
- C13H26N2O2
- Average molar mass
- 242.36 g/mol
- Monoisotopic mass
- 242.19942808
Names & identifiers
- Preferred name
- N,N'-bis(3-methylbutyl)propanediamide
- IUPAC
- N,N'-bis(3-methylbutyl)propanediamide
- English name
- N,N''-Bis-(3-methyl-butyl)-malonamide
- Molecular formula
- C13H26N2O2
- Molecular weight
- 242.36
Names & synonyms
126947-45-3N,N'-bis(3-methylbutyl)propanediamideN1,N3-DiisopentylmalonamideN,N'-Bis-(3-methyl-butyl)-malonamidePropanediamide, N1,N3-bis(3-methylbutyl)-N,N'-diisopentylpropanediamideDTXSID30368483BFA94745AKOS000115144CS-0218561EN300-01357N~1~,N~3~-Bis(3-methylbutyl)propanediamide
Show more names
N,N′-Bis-(3-methyl-butyl)-malonamide, CAS 126947-45-3
G33548N,N/'/'-BIS-(3-METHYL-BUTYL)-MALONAMIDESR-01000036855SR-01000036855-1Z56862364
Database identifiers
- CAS
126947-45-3- PubChem CID
- 2396523
- DTXSID
DTXSID30368483- EC Number
- 154-873-9
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 55 °C · 55 °C
- Boiling point
- 444.9 · 444.9±28.0 °C(Predicted)
- Density
- 0.947 · 0.947±0.06 g/cm3(Predicted)
- pka
- 8 · 8+-.0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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