N-Isopropylmethacrylamide

HCID 83698

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Basic information

CAS: 13749-61-6
Standard SMILES: C=C(C)C(=O)NC(C)C
InChIKey: YQIGLEFUZMIVHU-UHFFFAOYSA-N
Molecular formula: C7H13NO
Average molar mass: 127.18 g/mol
Monoisotopic mass: 127.09971404

Names & identifiers

Preferred name: N-Isopropylmethacrylamide
IUPAC: 2-methyl-N-propan-2-ylprop-2-enamide
English name: N-Isopropylmethacrylamide
Molecular formula: C7H13NO
Molecular weight: 127.18

Names & synonyms

N-Isopropylmethacrylamide13749-61-62-Propenamide, 2-methyl-N-(1-methylethyl)-EINECS 237-331-732216XNO4QDTXSID50160204ACRYLAMIDE, N-ISOPROPYL-2-METHYL-EC 237-331-7RefChem:830197DTXCID1082695237-331-72-methyl-N-propan-2-ylprop-2-enamide

Show more names

NIPMAMNIPMAAmPhenylsucoinic AcidN-isopropylmethylacrylamideN-isopropyl-2-methacrylamideN-IsopropylMethacrylaMide 97%N-isopropyl-2-methylacrylamide2-methyl-N-propan-2-yl-2-propenamide

MFCD00192246N-isopropyl-2-methyl-prop-2-enamideN-isopropylmethacrylic acid amideN-isopropyl-methacrylic acid amideAC-83562-methyl-N-(propan-2-yl)prop-2-enamiden-isopropyl methacrylamideUNII-32216XNO4Q

Database identifiers

CAS: 13749-61-6
PubChem CID: 83698
DTXSID: DTXSID50160204
UNII: 32216XNO4Q
EC Number: 237-331-7
Nikkaji: J278.030E

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 127

Physicochemical properties

Melting point: 89 · 89-91 °C (lit.)
Boiling point: 241.1 · 241.1±13.0 °C(Predicted)
Density: 0.875 · 0.875±0.06 g/cm3(Predicted)
vapor pressure: 3.9 Pa · 3.9Pa at 25℃
storage temp.: 2 · 2-8°C
pka: 14.95 · 14.95±0.46(Predicted)
Appearance: White to light yellow Solid
Water Solubility: 30.5 g/L · 30.5g/L at 20℃
InChI: InChI=1S/C7H13NO/c1-5(2)7(9)8-6(3)4/h6H,1H2,2-4H3,(H,8,9)
InChIKey: YQIGLEFUZMIVHU-UHFFFAOYSA-N
SMILES: C(NC(C)C)(=O)C(C)=C
LogP: 0.491 at · 0.491 at 30℃
FDA UNII: 32216 XNO4Q · 32216XNO4Q
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HS Code: 29242990 · 29242990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (80.8%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, 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 52 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.