2-Methylpropylenediamine
Basic information
- CAS
811-93-8- Standard SMILES
CC(C)(N)CN- InChIKey
OPCJOXGBLDJWRM-UHFFFAOYSA-N- Molecular formula
- C4H12N2
- Average molar mass
- 88.15 g/mol
- Monoisotopic mass
- 88.10004839
Overview
1,2-diamino-2-methylpropane is an alkylamine.
Names & identifiers
- Preferred name
- 2-Methylpropylenediamine
- IUPAC
- 2-methylpropane-1,2-diamine
- English name
- 1,2-Diamino-2-methylpropane
- Molecular formula
- C4H12N2
- Molecular weight
- 88.15
Names & synonyms
2-MethylpropylenediamineRefChem:476217212-374-41,2-Diamino-2-methylpropane2-methylpropane-1,2-diamine811-93-82-Methyl-1,2-propanediamine1,2-PROPANEDIAMINE, 2-METHYL-1,2-diamino-2-methyl propaneMethyl-2 propanediamine-1,22-methyl-1,2-diaminopropaneMFCD00008054
Show more names
1,1-DimethylethylenediamineNsc17717isobutylenediamine1,2-Diamino-2-methyL2-methyl-2-propanediaminemethyl-2propanediamine-1,2
1,1-DIMETHYL-1,2-ETHANEDIAMINE2-Amino-2-methylpropylamineNSC 17717(2-amino-1,1-dimethylethyl)amine4-04-00-01306 (Beilstein Handbook Reference)propane, 1,2-diamino-2-methyl-CS-0058986EINECS 212-374-4
Database identifiers
- CAS
811-93-8- PubChem CID
- 13128
- DTXSID
DTXSID10230896- ChEBI
CHEBI:183963- EC Number
- 212-374-4
- Nikkaji
- J50.735K
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 40.8
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 120 · 120-121℃
- Boiling point
- 52 °C · 52°C 16mm
- Density
- 0 · 0,85 g/cm3
- refractive index
- 20 · n20/D 1.441(lit.)
- Flash point
- 23 °C · 23°C
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Chloroform, Ethyl Acetate (Slightly)
- pka
- 1 · pK1:6.178(+2);pK2:9.420(+1) (25°C)
- form
- Oil
- color
- Colourless
- InChI
- InChI=1S/C4H12N2/c1-4(2,6)3-5/h3,5-6H2,1-2H3
- InChIKey
- OPCJOXGBLDJWRM-UHFFFAOYSA-N
- SMILES
- C(N)C(C)(N)C
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 96 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 2-methylpropylenediamine (EC: 212-374-4)
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- rtecs
- TX8250000
- ridadr
- 2734
- hs_code
- 29212900
- risk_code
- 10-34
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- C,F
- safety_code
- 26-36/37/39-45-16
- hazard_class
- 8
- packing_group
- II
- Hazard statements
- H226-H314
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Chemistry & industry
Applications
Uses1,2-Diamino-2-methyl Propane is a reactant used in the preparation of neocryptolepine analogs with antimalarial activity.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: 1,2-diamino-2-methylpropane is an alkylamine.
Related reactions
208 records
Compound notes
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