| CAS Number | 1311314-37-0 |
| Catalog Number | AG01AH70 |
| Chemical Name | (1-Amino-4-methylpentan-2-yl)(1-phenylethyl)amine |
| IUPAC Name | 4-methyl-2-N-(1-phenylethyl)pentane-1,2-diamine |
| InChI | InChI=1S/C14H24N2/c1-11(2)9-14(10-15)16-12(3)13-7-5-4-6-8-13/h4-8,11-12,14,16H,9-10,15H2,1-3H3 |
| InChI Key | KKVIPCWNLAUNJZ-UHFFFAOYSA-N |
| MDL Number | MFCD18483227 |
| Molecular Formula | C14H24N2 |
| Molecular Weight | 220.3538 |
| SMILES | CC(CC(NC(C1=CC=CC=C1)C)CN)C |
| Synonyms | (1-amino-4-methylpentan-2-yl)(1-phenylethyl)amine,
1311314-37-0,
AKOS013181508,
MCULE-9101101169,
NE31478,
EN300-73872,
Z1695922918,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.36g/mol |
| Monoisotopic Mass | 220.194g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number