| CAS Number | 56123-06-9 |
| Catalog Number | AG01AUTY(AGN-PC-042XR8) |
| Chemical Name | 2-(Aminomethyl)prop-2-en-1-amine |
| IUPAC Name | 2-methylidenepropane-1,3-diamine |
| InChI | InChI=1S/C4H10N2/c1-4(2-5)3-6/h1-3,5-6H2 |
| InChI Key | PRCGMIFKQRXNBS-UHFFFAOYSA-N |
| MDL Number | MFCD19204256 |
| Molecular Formula | C4H10N2 |
| Molecular Weight | 86.1356 |
| SMILES | NCC(CN)=C |
| Synonyms | 2-(aminomethyl)prop-2-en-1-amine,
56123-06-9,
1,3-diamino-2-methylenepropane,
2-methylenepropane-1,3-diamine,
CTK1F5267,
DTXSID40633851,
2-Methylidenepropane-1,3-diamine,
1,3-Propanediamine, 2-methylene-,
AKOS006338221,
ZINC104558157,
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| Complexity | 43.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 86.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 86.138g/mol |
| Monoisotopic Mass | 86.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
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Certificate of Analysis
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