| CAS Number | 87576-06-5 |
| Catalog Number | AG01A84W(AGN-PC-0WO0BD) |
| Chemical Name | 3-(4-Methyl-1,4-diazepan-1-yl)propan-1-amine |
| IUPAC Name | 3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine |
| InChI | InChI=1S/C9H21N3/c1-11-5-3-7-12(9-8-11)6-2-4-10/h2-10H2,1H3 |
| InChI Key | VRSWRZBNEHRBSL-UHFFFAOYSA-N |
| MDL Number | MFCD11168583 |
| Molecular Formula | C9H21N3 |
| Molecular Weight | 171.2831 |
| SMILES | CN1CCN(CCCN)CCC1 |
| Synonyms | 3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine,
87576-06-5,
AC1Q3ZR6,
SCHEMBL3964262,
CTK7E8271,
VRSWRZBNEHRBSL-UHFFFAOYSA-N,
ZINC20217606,
AKOS009209671,
NE23003,
3-(4-Methyl-1,4-diazepan-1-yl)propylamine,
EN300-60739,
3-(4-methyl-[1,4]diazepan-1-yl)-propylamine,
1H-1,4-Diazepine-1-propanamine, hexahydro-4-methyl,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.288g/mol |
| Monoisotopic Mass | 171.174g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 32.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number