Methanediamine
Basic information
- CAS
2372-88-5- Standard SMILES
NCN- InChIKey
RTWNYYOXLSILQN-UHFFFAOYSA-N- Molecular formula
- CH6N2
- Average molar mass
- 46.072 g/mol
- Monoisotopic mass
- 46.0530982
Overview
Methanediamine is an alkane-alpha,omega-diamine, an aminal and a one-carbon compound.
Names & identifiers
- Preferred name
- Methanediamine
- IUPAC
- methanediamine
- English name
- diaminomethane
- Molecular formula
- CH6N2
- Molecular weight
- 46.07
Names & synonyms
MethanediamineDiaminomethane2372-88-59E12MBV9NEJ247.892GDTXSID6043755CHEBI:35413RefChem:156908DTXCID4023755methylenediamineMethanediamine(6CI,7CI,8CI,9CI)UNII-9E12MBV9NE
Show more names
Methanediamine (6CI,7CI,8CI,9CI)Methanediamine DISCONTINUED PLEASE SEE M260227
Primary diaminemethylene diamineSCHEMBL63975SCHEMBL771355SCHEMBL887981SCHEMBL1042994SCHEMBL1387954SCHEMBL1387990
Database identifiers
- CAS
2372-88-5- PubChem CID
- 75408
- DTXSID
DTXSID6043755- ChEMBL
CHEMBL4647969- ChEBI
CHEBI:35413- UNII
- 9E12MBV9NE
- Nikkaji
- J247.892G
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 3
- Formal charge
- 0
- Complexity
- 2.8
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Amines, Aliphatic
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 105 °C · 105 °C
- Boiling point
- 82.6 · 82.6±8.0 °C(Predicted)
- Density
- 0.879 · 0.879±0.06 g/cm3(Predicted)
- pka
- 10.44 · 10.44±0.29(Predicted)
- FDA UNII
- 9 E12MBV9NE · 9E12MBV9NE
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee Ethylenediamine.
Chemistry & industry
Applications
UsesMethanediamine is an intermediate in synthesizing FK-506 3’-Methyl Ether (F370010), a fermentation process impurity. It is formed during Tacrolimus ((F370000) fermentation using Strain of Streptomyces Tsukubaensis.
Additional notes
DefinitionChEBI: Methanediamine is an aminal, a one-carbon compound and an alkane-alpha,omega-diamine.
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Related reactions
3 records
Compound notes
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