CAS 2155-94-4 N,N-Dimethylallylamine (HCID 75082)

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Basic information

CAS: 2155-94-4
Standard SMILES: C=CCN(C)C
InChIKey: GBCKRQRXNXQQPW-UHFFFAOYSA-N
Molecular formula: C5H11N
Average molar mass: 85.15 g/mol
Monoisotopic mass: 85.08914936

Names & identifiers

Preferred name: N,N-Dimethylallylamine
IUPAC: N,N-dimethylprop-2-en-1-amine
English name: N,N-Dimethylallylamine
Molecular formula: C5H11N
Molecular weight: 85.15

Names & synonyms

N,N-Dimethylallylamine2155-94-4Allyldimethylamine2-Propen-1-amine, N,N-dimethyl-N-Allyl-N,N-dimethylamineAllylamine, N,N-dimethyl-RZ4SG99TKXNSC-32615DTXSID5062215NNDMAARefChem:161278DTXCID0036504

Show more names

N,N-DimethylethenamineN-ALLYDIMETHYLAMINEN-Allyl-dimethylaminN,N-DIMETHYLALLYAMINE

218-458-7DimethylallylamineN,N-dimethylprop-2-en-1-amineN-AllyldimethylamineMFCD00038234CH2=CHCH2N(CH3)2N,N-Dimethyl-2-propene-1-amineRizatriptan Impurity 15

Database identifiers

CAS: 2155-94-4
PubChem CID: 75082
DTXSID: DTXSID5062215
UNII: RZ4SG99TKX
EC Number: 218-458-7
Nikkaji: J27.951J

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 6
Formal charge: 0
Complexity: 39

Experimental & physicochemical properties

Kovats Retention Index604

Physicochemical properties

Melting point: 59 · 59-63 °C
Boiling point: 62 °C · 62 °C
Density: 0.719 g/mL · 0.719 g/mL at 20 °C(lit.)
refractive index: 1.4 · 1.4-1.402
Flash point: 8 °C · 8 °C
storage temp.: 30 °C · Store below +30°C.
pka: 8.88 · 8.88±0.28(Predicted)
form: Liquid
color: Clear colorless to slightly yellow
Water Solubility: Soluble
BRN: 1734044 · 1734044
Stability: Stable. Incompatible with strong oxidants.
InChI: 1S/C5H11N/c1-4-5-6(2)3/h4H,1,5H2,2-3H3

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 70.7% (104 of 147) of all reports.

Danger

H225 (29.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H314 (27.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332 (27.2%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 147 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 104 of 147 reports by companies.；There are 5 notifications provided by 43 of 147 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 2 items

Chemical: 2-Propen-1-amine, N,N-dimethyl-

Dimethylallylamine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 2 (29.3%)；Skin Corr. 1B (27.2%)；Acute Tox. 4 (27.2%)

Regulatory information

Regulatory Information · 2 items

Chemical: 2-Propen-1-amine, N,N-dimethyl-

Dimethylallylamine: Does not have an individual approval but may be used under an appropriate group standard

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Propen-1-amine, N,N-dimethyl-: ACTIVE

Applications

UsesN,N-Dimethylprop-2-en-1-amine is a quaternary ammonium salts widely used to prevent microbial contamination. A useful intermediate for the preparation and flocculation performance of dimethylallyl quaternary ammonium salts of lignin.