2-bromo-N-propylacetamide
Basic information
- CAS
5395-67-5- Standard SMILES
CCCNC(=O)CBr- InChIKey
KOQUCXISMHTDMC-UHFFFAOYSA-N- Molecular formula
- C5H10BrNO
- Average molar mass
- 180.04 g/mol
- Monoisotopic mass
- 178.99458
Names & identifiers
- Preferred name
- 2-bromo-N-propylacetamide
- IUPAC
- 2-bromo-N-propylacetamide
- English name
- NSC4100
- Molecular formula
- C5H10BrNO
- Molecular weight
- 180.04
Names & synonyms
2-Bromo-N-propylacetamideRefChem:467185875-058-05395-67-5NSC4100Bromo-N-propylethanimidic acidSCHEMBL268220SCHEMBL4997115SCHEMBL50537252-Bromo-N-propylethanimidic acidDTXSID40968756KOQUCXISMHTDMC-UHFFFAOYSA-N
Show more names
SKL493Belumosudil Impurity 27Acetamide, 2-bromo-N-propyl-
FAA39567NSC-4100AKOS005288929DB-116652CS-0240203EN300-226688G28113
Database identifiers
- CAS
5395-67-5- PubChem CID
- 220796
- DTXSID
DTXSID40968756- EC Number
- 875-058-0
- Nikkaji
- J1.891.161B
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74.8
Experimental & physicochemical properties
LogP0.91
Physicochemical properties
- Boiling point
- 275.1 · 275.1±23.0 °C(Predicted)
- Density
- 1.382 · 1.382±0.06 g/cm3(Predicted)
- pka
- 14.01 · 14.01±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H335-H315-H318
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H335-H315-H318
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Related reactions
1 records
Compound notes
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