| CAS Number | 91189-07-0 |
| Catalog Number | AG00GUVM(AGN-PC-05WLA4) |
| Chemical Name | N-((1-Benzylpyrrolidin-3-yl)methyl)ethanamine |
| IUPAC Name | N-[(1-benzylpyrrolidin-3-yl)methyl]ethanamine |
| InChI | InChI=1S/C14H22N2/c1-2-15-10-14-8-9-16(12-14)11-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3 |
| InChI Key | AMRNWWPARHIDHZ-UHFFFAOYSA-N |
| MDL Number | MFCD06411058 |
| Molecular Formula | C14H22N2 |
| Molecular Weight | 218.3379 |
| SMILES | CCNCC1CN(CC2=CC=CC=C2)CC1 |
| Synonyms | 91189-07-0,
(1-BENZYL-PYRROLIDIN-3-YLMETHYL)-ETHYL-AMINE,
[(1-benzylpyrrolidin-3-yl)methyl](ethyl)amine,
n-((1-benzylpyrrolidin-3-yl)methyl)ethanamine,
N-[(1-benzylpyrrolidin-3-yl)methyl]ethanamine,
AC1NNVQ8,
SCHEMBL3810288,
CTK5G9046,
DTXSID20408589,
AMRNWWPARHIDHZ-UHFFFAOYSA-N,
AKOS005288000,
MCULE-1669916067,
AM101571,
N-ethyl-1-(phenylmethyl)-3-pyrrolidinemethanamine,
Z1276751967,
-ETHYL-AMINE,
CID5127972,
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| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.344g/mol |
| Monoisotopic Mass | 218.178g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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