3-(Dodecylamino)propiononitrile
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Basic information
- CAS
4763-40-0- Standard SMILES
CCCCCCCCCCCCNCCC#N- InChIKey
DKRQDOPNZFOLQD-UHFFFAOYSA-N- Molecular formula
- C15H30N2
- Average molar mass
- 238.41 g/mol
- Monoisotopic mass
- 238.24089897
Names & identifiers
- Preferred name
- 3-(Dodecylamino)propiononitrile
- IUPAC
- 3-(dodecylamino)propanenitrile
- English name
- 3-(DODECYLAMINO)PROPIONITRILE
- Molecular formula
- C15H30N2
- Molecular weight
- 238.41
Names & synonyms
3-(Dodecylamino)propiononitrileEINECS 225-302-1DTXSID00197227EC 225-302-1NSC 40168RefChem:495124DTXCID10119718225-302-13-(Dodecylamino)propionitrile4763-40-03-(Dodecylamino)propanenitrilePropanenitrile, 3-(dodecylamino)-
Show more names
LABOTEST-BB LTBB0005863-(Dodecylamino)propiononitril4-[1-(2-hydroxy-5-methylphenyl)prop-2-enyl]benzonitrile
MFCD00060312HKX5XM4J7GNSC-40168NSC40168UNII-HKX5XM4J7GA827285SCHEMBL95519343-(Dodecylamino)propanenitrile #
Database identifiers
- CAS
4763-40-0- PubChem CID
- 78499
- DTXSID
DTXSID00197227- UNII
- HKX5XM4J7G
- EC Number
- 225-302-1
- Nikkaji
- J262.440K
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 20 · 20-21 °C
- Boiling point
- 140 °C · 140°C 1mm
- Density
- 0.86 · 0.86
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 8 · 8+-.0.19(Predicted)
- form
- Low-Melting Solid
- color
- White to Off-White
- Specific Gravity
- 0.86 · 0.86
- FDA UNII
- 5 XM4J7G · HKX5XM4J7G
- Symbol(GHS)
- 9 · GHS09,GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H410-H318
- Precautionary statements
- 273 · P273-P391-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P305+P351+P338-P310
- Hazard Codes
- Xi
- RIDADR
- 3276 · UN3276
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
H314 (98.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 71 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 3-(dodecylamino)propiononitrile (EC: 225-302-1)
Hazard Classes and CategoriesSkin Corr. 1B (98.6%)
Safety data
- ridadr
- UN3276
- Signal word
- Danger
- Symbol(GHS)
- GHS09,GHS05
- hazard_code
- Xi
- hazard_class
- IRRITANT, IRRITANT-HARMFUL
- Hazard statements
- H314-H410-H318
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Precautionary statements
- P273-P391-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P305+P351+P338-P310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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