n-Butyl-2-propenamide

HCID 642908

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Basic information

CAS: 2565-18-6
Standard SMILES: C=CC(=O)NCCCC
InChIKey: YRVUCYWJQFRCOB-UHFFFAOYSA-N
Molecular formula: C7H13NO
Average molar mass: 127.18 g/mol
Monoisotopic mass: 127.09971404

Names & identifiers

Preferred name: n-Butyl-2-propenamide
IUPAC: N-butylprop-2-enamide
English name: N-N-Butylacrylamide
Molecular formula: C7H13NO
Molecular weight: 127.18

Names & synonyms

N-butylacrylamideN-n-butylacrylamiden-Butyl-2-propenamide149B78H0RCUNII-149B78H0RCDTXSID50349092RefChem:202084DTXCID10300164696-280-2InChI=1/C7H13NO/c1-3-5-6-8-7(9)4-2/h4H,2-3,5-6H2,1H3,(H,8,92565-18-6N-butylprop-2-enamide

Show more names

2-propenamide, N-butyl-MFCD00080433N-n-butyl acrylamideSCHEMBL117684N-Butylacrylamide (stabilized with MEHQ)PD139252B6122CS-0152107

Database identifiers

CAS: 2565-18-6
PubChem CID: 642908
DTXSID: DTXSID50349092
ChEMBL: CHEMBL3334581
UNII: 149B78H0RC
EC Number: 696-280-2
Nikkaji: J107.684A

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 9
Formal charge: 0
Complexity: 99

Physicochemical properties

Boiling point: 83 · 83-85 °C(Press: 1 Torr)
Density: 0.876 · 0.876±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: clear liquid
pka: 15.13 · 15.13±0.46(Predicted)
color: Colorless to Light yellow to Light orange
FDA UNII: 149 B78H0RC · 149B78H0RC
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H332-H335-H312-H315-H319
Precautionary statements: 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 2924.19 · 2924.19.8000

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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.

Safety data

hs_code: 2924.19.8000
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H302-H332-H335-H312-H315-H319
Precautionary statements: P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362