| CAS Number | 125767-32-0 |
| Catalog Number | AG01A7AK(AGN-PC-0WODBF) |
| Chemical Name | N1-(pyrimidin-2-yl)propane-1,3-diamine |
| IUPAC Name | N'-pyrimidin-2-ylpropane-1,3-diamine |
| InChI | InChI=1S/C7H12N4/c8-3-1-4-9-7-10-5-2-6-11-7/h2,5-6H,1,3-4,8H2,(H,9,10,11) |
| InChI Key | FHYDQGOVTLQZSZ-UHFFFAOYSA-N |
| MDL Number | MFCD09942606 |
| Molecular Formula | C7H12N4 |
| Molecular Weight | 152.1970 |
| SMILES | NCCCNC1=NC=CC=N1 |
| Synonyms | N-(3-aminopropyl)pyrimidin-2-amine,
125767-32-0,
N-(2-pyrimidinyl)-1,3-propanediamine,
SCHEMBL6865308,
2-(3-aminopropylamino)pyrimidine,
2-(3-aninopropylamino)pyrimidine,
FHYDQGOVTLQZSZ-UHFFFAOYSA-N,
N-2-pyrimidinyl-1,3-propanediamine,
ZINC19488499,
AKOS000186944,
MCULE-2339910400,
N-(2-pyrimidinyl)propane-1,3-diamine,
N1-(pyrimidin-2-yl)propane-1,3-diamine,
AB00999652-01,
|
| Complexity | 90.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.201g/mol |
| Monoisotopic Mass | 152.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number