| CAS Number | 50846-06-5 |
| Catalog Number | AG00E1FE(AGN-PC-0S96TJ) |
| Chemical Name | 2-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine |
| IUPAC Name | 2-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine |
| InChI | InChI=1S/C9H21N3/c1-9(7-10)8-12-5-3-11(2)4-6-12/h9H,3-8,10H2,1-2H3 |
| InChI Key | XXSQACLXBZQBST-UHFFFAOYSA-N |
| MDL Number | MFCD09901920 |
| Molecular Formula | C9H21N3 |
| Molecular Weight | 171.2831 |
| SMILES | CC(CN1CCN(C)CC1)CN |
| Synonyms | 2-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine,
50846-06-5,
1-Piperazinepropanamine,-bta-,4-dimethyl-(9CI),
AC1Q2B1G,
CTK4J3249,
DTXSID50589855,
AKOS009388009,
NE24819,
EN300-44908,
Z1270255616,
1-Piperazinepropanamine, -b?ta-,4-dimethyl- (9CI),
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| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.288g/mol |
| Monoisotopic Mass | 171.174g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 32.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
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