| CAS Number | 902798-16-7 |
| Catalog Number | AG00H4JC |
| Chemical Name | 1,4-Diazepan-6-amine |
| IUPAC Name | 1,4-diazepan-6-amine |
| InChI | InChI=1S/C5H13N3/c6-5-3-7-1-2-8-4-5/h5,7-8H,1-4,6H2 |
| InChI Key | RVBVQBYYWQSUAB-UHFFFAOYSA-N |
| MDL Number | MFCD09607991 |
| Molecular Formula | C5H13N3 |
| Molecular Weight | 115.1768 |
| SMILES | N1CCNCC(C1)N |
| Synonyms | 1,4-diazepan-6-amine,
902798-16-7,
[1,4]Diazepan-6-ylamine,
hexahydro-1H-1,4-Diazepin-6-amine,
6-aminoperhydro-1,4-diazepine,
SCHEMBL2760766,
DTXSID60653031,
ZINC26896722,
Hexahydro-1H-1,4-diazepine-6-amine,
AKOS006331097,
DB-078620,
FT-0755787,
D67177,
|
| Complexity | 56.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 115.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 115.18g/mol |
| Monoisotopic Mass | 115.111g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 50.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number