2-Methylallylamine
Basic information
- CAS
2878-14-0- Standard SMILES
C=C(C)CN- InChIKey
VXDHQYLFEYUMFY-UHFFFAOYSA-N- Molecular formula
- C4H9N
- Average molar mass
- 71.12 g/mol
- Monoisotopic mass
- 71.07349929
Names & identifiers
- Preferred name
- 2-Methylallylamine
- IUPAC
- 2-methylprop-2-en-1-amine
- English name
- 2-Methylallylamine
- Molecular formula
- C4H9N
- Molecular weight
- 71.12
Names & synonyms
2-Methylallylamine2878-14-02-Methylprop-2-en-1-ylamineFHJ35WE6DGEINECS 220-724-2NSC-32610(2-METHYLALLYL)AMINEDTXSID80182954NSC 32610RefChem:475939DTXCID20105445220-724-2
Show more names
AKOS 91389JACS-2878-14-02-Methylallylamine>2-Methylallylamine 98%2-Methylallylamine,97%2-Methyl allyl aMine HCl2-methylallylamine, 98 %
2-methylprop-2-en-1-amineMethallylamineMFCD000536462-Propen-1-amine, 2-methyl-2-Propen-1-amine, 2-methyl- (9CI)UNII-FHJ35WE6DG3-Amino-2-methyl-1-propeneCH2=C(CH3)CH2NH2
Database identifiers
- CAS
2878-14-0- PubChem CID
- 76141
- DTXSID
DTXSID80182954- UNII
- FHJ35WE6DG
- EC Number
- 220-724-2
- Nikkaji
- J306.799H
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 38.9
Physicochemical properties
- Boiling point
- 78 °C · 78 °C
- Density
- 0.78 · 0.78
- refractive index
- 1.429 · 1.429-1.432
- Flash point
- -28 °C · -28 °C
- storage temp.
- 0 · 0-6°C
- form
- Liquid
- pka
- 9.45 · 9.45±0.29(Predicted)
- color
- Clear colorless
- InChI
- InChI=1S/C4H9N/c1-4(2)3-5/h1,3,5H2,2H3
- InChIKey
- VXDHQYLFEYUMFY-UHFFFAOYSA-N
- SMILES
- C(N)C(C)=C
- FDA UNII
- 35 WE6DG · FHJ35WE6DG
- NIST Chemistry Reference
- 2 · 2-Propen-1-amine, 2-methyl-(2878-14-0)
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
H225 (83.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (83.3%)
Safety data
- wgk
- 3
- ridadr
- 1992
- hs_code
- 29211990
- risk_code
- 36/37/38-11-36-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi-F,F,Xi,C,Xn
- hazard_note
- Highly Flammable/Irritant
- safety_code
- 37/39-26-16
- hazard_class
- FLAMMABLE, CORROSIVE
- Storage Class
- 11 - Combustible Solids
- packing_group
- II
- Hazard statements
- H302-H319
Chemistry & industry
Applications
Uses2-Methylallylamine is an intermediate used in the synthesis of urea-containing FK506 binding protein inhibitors. It is also used to prepare benzothiazepine dioxides with HIV-1 protease inhibitory activities. It is dehydrogenated to methacrylonitrile over a silver catalyst. Copolymerization of methallylamine with acrylonitrile increases the affinity of polyacrylonitrile fibers for dyes.
Upstream & downstream products
Downstream products
Related reactions
28 records
Compound notes
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