| CAS Number | 1185347-04-9 |
| Catalog Number | AG00J1AR(AGN-PC-0WB75P) |
| Chemical Name | [3-(1-Pyrrolidinylmethyl)phenyl]amine dihydrochloride |
| IUPAC Name | 3-(pyrrolidin-1-ylmethyl)aniline;dihydrochloride |
| InChI | InChI=1S/C11H16N2.2ClH/c12-11-5-3-4-10(8-11)9-13-6-1-2-7-13;;/h3-5,8H,1-2,6-7,9,12H2;2*1H |
| InChI Key | DXPIETNHJHVBIS-UHFFFAOYSA-N |
| MDL Number | MFCD11841254 |
| Molecular Formula | C11H18Cl2N2 |
| Molecular Weight | 249.1800 |
| SMILES | N1(CCCC1)CC1=CC=CC(N)=C1.Cl.Cl |
| Synonyms | 1185347-04-9,
[3-(1-Pyrrolidinylmethyl)phenyl]amine dihydrochloride,
ZX-CM003692,
MFCD11841254,
AKOS030254033,
3-(PYRROLIDIN-1-YLMETHYL)ANILINE DIHYDROCHLORIDE,
3-(Pyrrolidin-1-ylmethyl)aniline dihydrochloride, AldrichCPR,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.179g/mol |
| Monoisotopic Mass | 248.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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