Basic information
- Standard SMILES
C=C(C)CNCC- InChIKey
AXTLFVLHXSDZOW-UHFFFAOYSA-N- Molecular formula
- C6H13N
- Average molar mass
- 99.17 g/mol
- Monoisotopic mass
- 99.10479942
Names & identifiers
- Preferred name
- 2-Propen-1-amine, N-ethyl-2-methyl-
- IUPAC
- N-ethyl-2-methylprop-2-en-1-amine
- English name
- N-Ethylmethallylamine
- Molecular formula
- C6H13N
- Molecular weight
- 99.17
Names & synonyms
Show more names
Database identifiers
- CAS
18328-90-0- PubChem CID
- 87587
- DTXSID
DTXSID3027798- ChEMBL
CHEMBL3187873- UNII
- DQF79T13KF
- EC Number
- 242-217-5
- Nikkaji
- J266.124A
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 57.2
Experimental & physicochemical properties
Physicochemical properties
- Boiling point
- 104.5 · 104.5-105 °C(lit.)
- Density
- 0.753 g/mL · 0.753 g/mL at 25 °C(lit.)
- vapor pressure
- 13.332 hPa · 13.332hPa at 20℃
- refractive index
- 20 · n20/D 1.4221(lit.)
- Flash point
- 45 °F · 45 °F
- storage temp.
- 2 · 2-8°C, protect from light
- solubility
- Acetonitrile (Slightly), Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Oil
- pka
- 9.97 · 9.97±0.10(Predicted)
- Specific Gravity
- 0.78 · 0.78
- color
- Colourless to Light Yellow
- Hydrolytic Sensitivity
- 2 · 2: reacts with aqueous acid
- LogP
- 0.99 · 0.99
- CAS DataBase Reference
- 18328 · 18328-90-0(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 79 T13KF · DQF79T13KF
- NIST Chemistry Reference
- -2 · N-Ethyl-2-methylallylamine(18328-90-0)
- EPA Substance Registry System
- 2 · 2-Propen-1-amine, N-ethyl-2-methyl- (18328-90-0)
- Symbol(GHS)
- 8 · GHS08,GHS02,GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 371 · H371-H318-H225-H331-H314-H300-H311
- Precautionary statements
- 261 · P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P280-P305+P351+P338-P310-P264-P270-P301+P310-P321-P330-P405-P501-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P260-P264-P270-P309+P311-P405-P501
- Hazard Codes
- F,C
- Risk Statements
- 11 · 11-20/21/22-34
- Safety Statements
- 16 · 16-26-27-33-36/37/39-45
- RIDADR
- 2733 · UN 2733 3/PG 2
- WGK Germany
- 2 · 2
- TSCA
- TSCA listed
- HazardClass
- 3.1 · 3.1
- PackingGroup
- II
- HS Code
- 29211990 · 29211990
- REACH Registrations
- Active
- Limited Quantities
- 1 L · 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 11.1% (5 of 45) of reports.
Danger
H225 (88.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
2-Propen-1-amine, N-ethyl-2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propen-1-amine, N-ethyl-2-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 29-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/11358
2-Propen-1-amine, N-ethyl-2-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 2733 3/PG 2
- hs_code
- 29211990
- risk_code
- 11-20/21/22-34
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS02,GHS05,GHS06
- hazard_code
- F,C
- safety_code
- 16-26-27-33-36/37/39-45
- hazard_class
- 3.1
- packing_group
- II
- Hazard statements
- H371-H318-H225-H331-H314-H300-H311
- Limited Quantities
- 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Precautionary statements
- P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P280-P305+P351+P338-P310-P264-P270-P301+P310-P321-P330-P405-P501-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P260-P264-P270-P309+P311-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
2-Propen-1-amine, N-ethyl-2-methyl-: ACTIVE
Applications
UsesN-Ethylmethallylamine is an intermediate in synthesizing Ethalfluralin (E917718), a herbicide.
Upstream & downstream products
Upstream raw materials
Suppliers39 total
Related reactions
Linked notes
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