| CAS Number | 1035211-86-9 |
| Catalog Number | AG01BBHT |
| Chemical Name | [(2R)-2-aminopropyl](benzyl)methylamine |
| IUPAC Name | 1-N-benzyl-1-N-methylpropane-1,2-diamine |
| InChI | InChI=1S/C11H18N2/c1-10(12)8-13(2)9-11-6-4-3-5-7-11/h3-7,10H,8-9,12H2,1-2H3 |
| InChI Key | AVTMHOATGUADSI-UHFFFAOYSA-N |
| MDL Number | MFCD24641488 |
| Molecular Formula | C11H18N2 |
| Molecular Weight | 178.2740 |
| SMILES | C[C@H](CN(Cc1ccccc1)C)N |
| Synonyms | [(2R)-2-aminopropyl](benzyl)methylamine,
N1-Benzyl-N1-methylpropane-1,2-diamine,
(2-AMINOPROPYL)(BENZYL)METHYLAMINE,
1035211-86-9,
54151-43-8,
SCHEMBL16209876,
AKOS000163449,
AKOS022708046,
NE20799,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.279g/mol |
| Monoisotopic Mass | 178.147g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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