N-Bromoacetyl-n-decylamine
Basic information
- CAS
5345-68-6- Standard SMILES
CCCCCCCCCCNC(=O)CBr- InChIKey
RZTGBAJAVREPOB-UHFFFAOYSA-N- Molecular formula
- C12H24BrNO
- Average molar mass
- 278.23 g/mol
- Monoisotopic mass
- 277.10413
Names & identifiers
- Preferred name
- N-Bromoacetyl-n-decylamine
- IUPAC
- 2-bromo-N-decylacetamide
- English name
- 2-Bromo-N-decyl-acetamide
- Molecular formula
- C12H24BrNO
- Molecular weight
- 278.23
Names & synonyms
2-BROMO-N-DECYLACETAMIDE5345-68-6N-Bromoacetyl-n-decylamineTJF96MTZ7RAcetamide, 2-bromo-N-decyl-NSC-1721DTXSID20201618RefChem:829354DTXCID501241092-Bromo-N-decyl-acetamideNSC1721NSC 1721
Show more names
2-Bromo-N-decyl-acetamide 97% (GC)
Bromacetamide, N-decyl-UNII-TJF96MTZ7RSCHEMBL5331194RZTGBAJAVREPOB-UHFFFAOYSA-NAKOS0175533662-Bromo-N-decyl-acetamide, 97% (GC)
Database identifiers
- CAS
5345-68-6- PubChem CID
- 94759
- DTXSID
DTXSID20201618- UNII
- TJF96MTZ7R
- EC Number
- 623-766-3
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 10
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 41 · 41-45 °C
- Boiling point
- 130 °C · 130 °C(Press: 0.2 Torr)
- Density
- 1.132 · 1.132±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C
- form
- solid
- pka
- 13.924 · 13.924±0.46(predicted)
- InChI
- 1S/C12H24BrNO/c1-2-3-4-5-6-7-8-9-10-14-12(15)11-13/h2-11H2,1H3,(H,14,15)
- InChIKey
- RZTGBAJAVREPOB-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCNC(=O)CBr
- FDA UNII
- 96 MTZ7R · TJF96MTZ7R
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H413
- Precautionary statements
- 261 · P261-P305+P351+P338
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, P273, 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)
Aggregated GHS information provided per 2 reports by companies from 2 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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335-H413
- Hazard Classifications
- Aquatic Chronic 4Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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