Back to Search
Molecule
1,3-Diamino-2-Propanol
CAS: 616-29-5 · C3H10N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 616-29-5
- Molecular Formula
- C3H10N2O
- Molecular Mass
- 90.13 g/mol
Identifiers
CAS Registry Number
616-29-5
SMILES
NCC(O)CN
InChI Key
UYBWIEGTWASWSR-UHFFFAOYSA-N
InChI
InChI=1S/C3H10N2O/c4-1-3(6)2-5/h3,6H,1-2,4-5H2
Names and Synonyms
- 1,3-Diamino-2-Propanol Synonym
- 2-Propanol, 1,3-diamino- Synonym
- 1,3-Diamino-2-propanol Synonym
- 2-Hydroxy-1,3-diaminopropane Synonym
- 1,3-Diamino-2-hydroxypropane Synonym
- 2-Hydroxy-1,3-propanediamine Synonym
- 2-Hydroxypropylenediamine Synonym
- NSC 6070 Synonym
- 1,3-Diaminopropan-2-ol Synonym
- (3-Amino-2-hydroxypropyl)amine Synonym
- Dapol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 90.13 g/mol | CAS Common Chemistry |
| 90.12600000000002 g/mol | RDKit | |
| 90.126 g/mol | RDKit | |
| Canonical SMILES | OC(CN)CN | CAS Common Chemistry |
| InChI | InChI=1S/C3H10N2O/c4-1-3(6)2-5/h3,6H,1-2,4-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=UYBWIEGTWASWSR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >150 °C | CAS Common Chemistry |
| Name | 1,3-Diamino-2-propanol | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 72.27 Ų | RDKit |
| LogP | -1.7352999999999996 | RDKit |
| -1.7353 | RDKit | |
| Molar Refractivity | 24.115599999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 90.07931294 g/mol | RDKit |
| Boiling Point | 93-95 °C @ 3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 90.13 g/mol. Edit any field — others recompute live.
