P-Xylylenediamine | SBID = 571 | Compound |
Structure
Molecular Properties
| Interactions: | 5 | ||
| PubChem TPSA/Å2: | 52.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -0.4 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 111.9 | ||
| Sum Formula: | C8H12N2 | ||
| M / g/mol: | 136.19 | ||
| Complexity: | 73.0 | ||
| Number of Conformers: | 6.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: P-Xylylenediamine
- Preferred Abbreviation: P-Xylylenediamine
- IUPAC Name: [4-(aminomethyl)phenyl]methanamine
- CAS: 539-48-0
- CID: 68315
- InChiKey: ISKQADXMHQSTHK-UHFFFAOYSA-N
- InChi: InChI=1S/C8H12N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6,9-10H2
- CanoSmiles: C1=CC(=CC=C1CN)CN
- IsoSmiles: C1=CC(=CC=C1CN)CN
