2-chloro-N-(prop-2-en-1-yl)acetamide
Basic information
- CAS
13269-97-1- Standard SMILES
C=CCNC(=O)CCl- InChIKey
AZOOMRDAGOXGNJ-UHFFFAOYSA-N- Molecular formula
- C5H8ClNO
- Average molar mass
- 133.57 g/mol
- Monoisotopic mass
- 133.0294416
Names & identifiers
- Preferred name
- 2-chloro-N-(prop-2-en-1-yl)acetamide
- IUPAC
- 2-chloro-N-prop-2-enylacetamide
- English name
- N-(Chloroacetyl)allylamine
- Molecular formula
- C5H8ClNO
- Molecular weight
- 133.58
Names & synonyms
2-chloro-N-(prop-2-en-1-yl)acetamideRefChem:470257692-266-5N-(Chloroacetyl)allylamine13269-97-1n-allyl-2-chloroacetamideN-Allyl-2-chloro-acetamide2-chloro-N-prop-2-enylacetamideMFCD00084928Acetamide, 2-chloro-N-2-propenyl-Acetamide, 2-chloro-N-2-propen-1-yl-N1-allyl-2-chloroacetamide
Show more names
N-Allyl-2-chloroacetamide98%N-Allyl-2-chloroacetamide 98%N-(Chloroacetyl)allylamine98%N-(Chloroacetyl)allylamine 98%5-amino-1-chloro-3-penten-2-one2-Chloro-N-2-propen-1-ylacetamide
2-Chloro-N-2-propenylacetamideF2190-0238SCHEMBL5497997SCHEMBL9603476CHEMBL2251311DTXSID90157719NAA26997NSC165656
Database identifiers
- CAS
13269-97-1- PubChem CID
- 98788
- DTXSID
DTXSID90157719- ChEMBL
CHEMBL2251311- EC Number
- 692-266-5
- Nikkaji
- J2.737.535I
Properties
Computed structural properties
- XLogP
- 0.8
- 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
- 92.4
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 71 °C · 71 °C
- Density
- 1.1683 g/cm³ · 1.1683 g/cm³(Temp: 19.5 °C)
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 13.943 · 13.943±0.46(predicted)
- form
- oil
- color
- Yellow
- Stability
- Light Sensitive
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, 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 CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2924190090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
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Compound notes
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