| CAS Number | 1250405-19-6 |
| Catalog Number | AG009FN7(AGN-PC-0WNHBC) |
| Chemical Name | N-Benzyl-2-methyl-1,3-propanediamine |
| IUPAC Name | N'-benzyl-2-methylpropane-1,3-diamine |
| InChI | InChI=1S/C11H18N2/c1-10(7-12)8-13-9-11-5-3-2-4-6-11/h2-6,10,13H,7-9,12H2,1H3 |
| InChI Key | RICFCTFKNQIVMT-UHFFFAOYSA-N |
| MDL Number | MFCD08276303 |
| Molecular Formula | C11H18N2 |
| Molecular Weight | 178.2740 |
| SMILES | NCC(CNCc1ccccc1)C |
| Synonyms | N-Benzyl-2-methyl-1,3-propanediamine,
1250405-19-6,
ACMC-209atj,
SCHEMBL1717205,
CTK7E3286,
DTXSID10659745,
3-Benzylamino-2-methylpropylamine,
ANW-18293,
MFCD08276303,
AKOS011962974,
N-(3-Amino-2-methylpropyl)benzylamine,
N'-benzyl-2-methylpropane-1,3-diamine,
N~1~-Benzyl-2-methylpropane-1,3-diamine,
TC-107038,
B2687,
N -Benzyl-2-methyl-1,3-propanediamine,
|
| Complexity | 119 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.279g/mol |
| Monoisotopic Mass | 178.147g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number