| CAS Number | 156428-49-8 |
| Catalog Number | AG01AH6Z(AGN-PC-0WO4A8) |
| Chemical Name | 4-Methylpentane-1,2-diamine |
| IUPAC Name | 4-methylpentane-1,2-diamine |
| InChI | InChI=1S/C6H16N2/c1-5(2)3-6(8)4-7/h5-6H,3-4,7-8H2,1-2H3 |
| InChI Key | LGNSOKKCXYBTOL-UHFFFAOYSA-N |
| MDL Number | MFCD12190271 |
| Molecular Formula | C6H16N2 |
| Molecular Weight | 116.2046 |
| SMILES | CC(CC(CN)N)C |
| Synonyms | 4-methylpentane-1,2-diamine,
156428-49-8,
AC1MI7BB,
SCHEMBL75810,
1,2-diamino-4-methylpentane,
AKOS008132087,
MCULE-3441513735,
NE35350,
EN300-73871,
CID3064226,
|
| Complexity | 52.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 116.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 116.208g/mol |
| Monoisotopic Mass | 116.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number